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

Systemtic Name: 2-[(1R)-1-[2-(2-azanylnaphthalen-1-yl)-4,4-dimethyl-6-oxidanylidene-cyclohexen-1-yl]ethyl]benzoate Openeye Name: 2-[(1R)-1-[2-(2-amino-1-naphthyl)-4,4-dimethyl-6-oxo-cyclohexen-1-yl]ethyl]benzoate CAS Name: 2-[(1R)-1-[2-(2-amino-1-naphthalenyl)-4,4-dimethyl-6-oxo-1-cyclohexenyl]ethyl]benzoate IUPAC Name: 2-[(1R)-1-[2-(2-aminonaphthalen-1-yl)-4,4-dimethyl-6-oxocyclohexen-1-yl]ethyl]benzoate Traditional Name: 2-[(1R)-1-[2-(2-amino-1-naphthyl)-6-keto-4,4-dimethyl-cyclohexen-1-yl]ethyl]benzoate Formula: C27H26NO3- MolecularWeight: 412.50024

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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

C[C@H](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)/p-1/t16-/m1/s1