(phenylmethyl) (4S)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: (phenylmethyl) (4S)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: benzyl (4S)-2,7,7-trimethyl-4-(1-naphthyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-4-(1-naphthalenyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(1-naphthyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid benzyl ester Formula: C30H29NO3 MolecularWeight: 451.55616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC3=CC=CC=C3)C4=CC=CC5=CC=CC=C54)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCC3=CC=CC=C3)C4=CC=CC5=CC=CC=C54)C(=O)CC(C2)(C)C

InChI

InChI=1S/C30H29NO3/c1-19-26(29(33)34-18-20-10-5-4-6-11-20)27(23-15-9-13-21-12-7-8-14-22(21)23)28-24(31-19)16-30(2,3)17-25(28)32/h4-15,26-27H,16-18H2,1-3H3/t26?,27-/m1/s1