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

Systemtic Name: (phenylmethyl) (4S,7S)-4-(3-ethoxy-4-oxidanyl-phenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: benzyl (4S,7S)-4-(3-ethoxy-4-hydroxy-phenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,7S)-4-(3-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S,7S)-4-(3-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,7S)-4-(3-ethoxy-4-hydroxy-phenyl)-5-keto-7-(4-methoxyphenyl)-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid benzyl ester Formula: C33H33NO6 MolecularWeight: 539.61822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H33NO6/c1-4-39-29-18-23(12-15-27(29)35)31-30(33(37)40-19-21-8-6-5-7-9-21)20(2)34-26-16-24(17-28(36)32(26)31)22-10-13-25(38-3)14-11-22/h5-15,18,24,31-32,35H,4,16-17,19H2,1-3H3/t24-,31-,32?/m0/s1