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

Systemtic Name: phenethyl (4S)-2,7,7-trimethyl-4-naphthalen-1-yl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: phenethyl (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 phenethyl ester IUPAC Name: phenethyl (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 phenethyl ester Formula: C31H31NO3 MolecularWeight: 465.58274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCC3=CC=CC=C3)C4=CC=CC5=CC=CC=C54)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC=CC5=CC=CC=C54)C(=O)CC(C2)(C)C

InChI

InChI=1S/C31H31NO3/c1-20-27(30(34)35-17-16-21-10-5-4-6-11-21)28(24-15-9-13-22-12-7-8-14-23(22)24)29-25(32-20)18-31(2,3)19-26(29)33/h4-15,27-28H,16-19H2,1-3H3/t27?,28-/m1/s1