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

Systemtic Name: methyl (3S,4R)-4-(2-chloranyl-5-ethoxy-4-methoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: methyl (3S,4R)-4-(2-chloro-5-ethoxy-4-methoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (3S,4R)-4-(2-chloro-5-ethoxy-4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-4-(2-chloro-5-ethoxy-4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (3S,4R)-4-(2-chloro-5-ethoxy-4-methoxy-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C2C(C(=NC3=C2C(=O)CCC3)C)C(=O)OC)Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[C@@H]2[C@@H](C(=NC3=C2C(=O)CCC3)C)C(=O)OC)Cl)OC

InChI

InChI=1S/C21H24ClNO5/c1-5-28-17-9-12(13(22)10-16(17)26-3)19-18(21(25)27-4)11(2)23-14-7-6-8-15(24)20(14)19/h9-10,18-19H,5-8H2,1-4H3/t18-,19-/m1/s1