2-methylpropyl (4S)-2-methyl-5-oxidanylidene-4-(3-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: 2-methylpropyl (4S)-2-methyl-5-oxidanylidene-4-(3-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: isobutyl (4S)-4-(3-benzyloxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-2-methyl-5-oxo-4-(3-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4S)-2-methyl-5-oxo-4-(3-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-4-(3-benzoxyphenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid isobutyl ester Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC(C)C)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCC(C)C)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)CCC2

InChI

InChI=1S/C28H31NO4/c1-18(2)16-33-28(31)25-19(3)29-23-13-8-14-24(30)27(23)26(25)21-11-7-12-22(15-21)32-17-20-9-5-4-6-10-20/h4-7,9-12,15,18,25-26H,8,13-14,16-17H2,1-3H3/t25?,26-/m1/s1