methyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(3-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(3-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl (4S)-4-(3-benzyloxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-(3-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2,7,7-trimethyl-5-oxo-4-(3-phenylmethoxyphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(3-benzoxyphenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)CC(C2)(C)C

InChI

InChI=1S/C27H29NO4/c1-17-23(26(30)31-4)24(25-21(28-17)14-27(2,3)15-22(25)29)19-11-8-12-20(13-19)32-16-18-9-6-5-7-10-18/h5-13,23-24H,14-16H2,1-4H3/t23?,24-/m1/s1