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

Systemtic Name: phenethyl (4S,7R)-4-(4-acetyloxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: phenethyl (4S,7R)-4-(4-acetoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(4-acetyloxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S,7R)-4-(4-acetyloxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(4-acetoxyphenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid phenethyl ester Formula: C33H31NO5 MolecularWeight: 521.60294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCC3=CC=CC=C3)C4=CC=C(C=C4)OC(=O)C)C(=O)CC(C2)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC=C(C=C4)OC(=O)C)C(=O)C[C@@H](C2)C5=CC=CC=C5

InChI

InChI=1S/C33H31NO5/c1-21-30(33(37)38-18-17-23-9-5-3-6-10-23)31(25-13-15-27(16-14-25)39-22(2)35)32-28(34-21)19-26(20-29(32)36)24-11-7-4-8-12-24/h3-16,26,30-31H,17-20H2,1-2H3/t26-,30?,31-/m1/s1