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

Systemtic Name: methyl (4S)-4-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: methyl (4S)-4-(3-bromo-5-ethoxy-4-methoxy-phenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S)-4-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S)-4-(3-bromo-5-ethoxy-4-methoxy-phenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid methyl ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C3C(=NC(=C2C(=O)OC)C)CCCC3=O)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@@H]2C3C(=NC(=C2C(=O)OC)C)CCCC3=O)Br)OC

InChI

InChI=1S/C21H24BrNO5/c1-5-28-16-10-12(9-13(22)20(16)26-3)18-17(21(25)27-4)11(2)23-14-7-6-8-15(24)19(14)18/h9-10,18-19H,5-8H2,1-4H3/t18-,19?/m0/s1