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

Systemtic Name: (phenylmethyl) (4S)-2-methyl-5-oxidanylidene-4-(2-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: benzyl (4S)-4-(2-benzyloxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-2-methyl-5-oxo-4-(2-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-2-methyl-5-oxo-4-(2-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-4-(2-benzoxyphenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid benzyl ester Formula: C31H29NO4 MolecularWeight: 479.56626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)CCC2

InChI

InChI=1S/C31H29NO4/c1-21-28(31(34)36-20-23-13-6-3-7-14-23)29(30-25(32-21)16-10-17-26(30)33)24-15-8-9-18-27(24)35-19-22-11-4-2-5-12-22/h2-9,11-15,18,28-29H,10,16-17,19-20H2,1H3/t28?,29-/m1/s1