propyl (4S,7R)-4-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: propyl (4S,7R)-4-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: propyl (4S,7R)-4-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid propyl ester IUPAC Name: propyl (4S,7R)-4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid propyl ester Formula: C28H30ClNO5 MolecularWeight: 495.9945

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Cl)O)OCC)C(=O)CC(C2)C4=CC=CC=C4)C

Isomeric SMILES

CCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC(=C(C(=C3)Cl)O)OCC)C(=O)C[C@@H](C2)C4=CC=CC=C4)C

InChI

InChI=1S/C28H30ClNO5/c1-4-11-35-28(33)24-16(3)30-21-13-18(17-9-7-6-8-10-17)14-22(31)26(21)25(24)19-12-20(29)27(32)23(15-19)34-5-2/h6-10,12,15,18,25,30,32H,4-5,11,13-14H2,1-3H3/t18-,25-/m1/s1