2-[1-[2-(2-azanylnaphthalen-1-yl)-4,4-dimethyl-6-oxidanylidene-cyclohexen-1-yl]ethyl]benzoic acid

Systemtic Name: 2-[1-[2-(2-azanylnaphthalen-1-yl)-4,4-dimethyl-6-oxidanylidene-cyclohexen-1-yl]ethyl]benzoic acid Openeye Name: 2-[1-[2-(2-amino-1-naphthyl)-4,4-dimethyl-6-oxo-cyclohexen-1-yl]ethyl]benzoic acid CAS Name: 2-[1-[2-(2-amino-1-naphthalenyl)-4,4-dimethyl-6-oxo-1-cyclohexenyl]ethyl]benzoic acid IUPAC Name: 2-[1-[2-(2-aminonaphthalen-1-yl)-4,4-dimethyl-6-oxocyclohexen-1-yl]ethyl]benzoic acid Traditional Name: 2-[1-[2-(2-amino-1-naphthyl)-6-keto-4,4-dimethyl-cyclohexen-1-yl]ethyl]benzoic acid Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1C(=O)O)C2=C(CC(CC2=O)(C)C)C3=C(C=CC4=CC=CC=C43)N

Isomeric SMILES

CC(C1=CC=CC=C1C(=O)O)C2=C(CC(CC2=O)(C)C)C3=C(C=CC4=CC=CC=C43)N

InChI

InChI=1S/C27H27NO3/c1-16(18-9-6-7-11-20(18)26(30)31)24-21(14-27(2,3)15-23(24)29)25-19-10-5-4-8-17(19)12-13-22(25)28/h4-13,16H,14-15,28H2,1-3H3,(H,30,31)