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

Systemtic Name: cyclopentyl (4S)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: cyclopentyl (4S)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl (4S)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclopentyl ester Formula: C24H28BrNO5 MolecularWeight: 490.38682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C3C(=NC(=C2C(=O)OC4CCCC4)C)CCCC3=O)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@@H]2C3C(=NC(=C2C(=O)OC4CCCC4)C)CCCC3=O)Br)O

InChI

InChI=1S/C24H28BrNO5/c1-3-30-19-12-14(11-16(25)23(19)28)21-20(24(29)31-15-7-4-5-8-15)13(2)26-17-9-6-10-18(27)22(17)21/h11-12,15,21-22,28H,3-10H2,1-2H3/t21-,22?/m0/s1