Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 389.5729 [g/mol] Molecular Formula C27H35NO XLogP 6.1 H-Bond Donor 1 H-Bond Acceptor 1 Rotatable Bond Count 7 Tautomer Count 2 Exact Mass 389.271865 MonoIsotopic Mass 389.271865 Topological Polar Surface Area 29.1 Heavy Atom Count 29 Formal Charge 0 Complexity 709 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 4 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N-[3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,
8-tetraenyl]benzamide
Canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCNC(=O)C2=CC=CC=C2)C)C
InChI: InChI=1/C27H35NO/c1-21(16-17-25-23(3)13-10-19-27(25,
4)5)11-9-12-22(2)18-20-28-26(29)24-14-7-6-8-15-24/h6-9,11-12,14-18H,10,
13,19-20H2,1-5H3,(H,28,29)/f/h28H
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