2-phenoxyethyl (4S,7R)-7-(4-chlorophenyl)-2-methyl-5-oxidanylidene-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: 2-phenoxyethyl (4S,7R)-7-(4-chlorophenyl)-2-methyl-5-oxidanylidene-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-phenoxyethyl (4S,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-(3-pyridyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-(3-pyridinyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4S,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-7-(4-chlorophenyl)-5-keto-2-methyl-4-(3-pyridyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-phenoxyethyl ester Formula: C30H27ClN2O4 MolecularWeight: 514.99938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCOC3=CC=CC=C3)C4=CN=CC=C4)C(=O)CC(C2)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCOC3=CC=CC=C3)C4=CN=CC=C4)C(=O)C[C@@H](C2)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H27ClN2O4/c1-19-27(30(35)37-15-14-36-24-7-3-2-4-8-24)28(21-6-5-13-32-18-21)29-25(33-19)16-22(17-26(29)34)20-9-11-23(31)12-10-20/h2-13,18,22,27-28H,14-17H2,1H3/t22-,27?,28-/m1/s1