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

Systemtic Name: ethyl (4R)-4-(3-chloranyl-4-ethoxy-phenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: ethyl (4R)-4-(3-chloro-4-ethoxy-phenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R)-4-(3-chloro-4-ethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(3-chloro-4-ethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R)-4-(3-chloro-4-ethoxy-phenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid ethyl ester Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C3C(=NC(=C2C(=O)OCC)C)CCCC3=O)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H]2C3C(=NC(=C2C(=O)OCC)C)CCCC3=O)Cl

InChI

InChI=1S/C21H24ClNO4/c1-4-26-17-10-9-13(11-14(17)22)19-18(21(25)27-5-2)12(3)23-15-7-6-8-16(24)20(15)19/h9-11,19-20H,4-8H2,1-3H3/t19-,20?/m1/s1