(phenylmethyl) (4S,7R)-4-(4-ethoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: (phenylmethyl) (4S,7R)-4-(4-ethoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: benzyl (4S,7R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S,7R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,7R)-5-keto-2-methyl-7-phenyl-4-p-phenetyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid benzyl ester Formula: C32H31NO4 MolecularWeight: 493.59284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C3C(=NC(=C2C(=O)OCC4=CC=CC=C4)C)CC(CC3=O)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2C3C(=NC(=C2C(=O)OCC4=CC=CC=C4)C)C[C@H](CC3=O)C5=CC=CC=C5

InChI

InChI=1S/C32H31NO4/c1-3-36-26-16-14-24(15-17-26)30-29(32(35)37-20-22-10-6-4-7-11-22)21(2)33-27-18-25(19-28(34)31(27)30)23-12-8-5-9-13-23/h4-17,25,30-31H,3,18-20H2,1-2H3/t25-,30+,31?/m1/s1