2-methylpropyl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-methylpropyl 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: isobutyl 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-5-keto-7-(4-methoxyphenyl)-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid isobutyl ester Formula: C30H34BrNO6 MolecularWeight: 584.49806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OCC(C)C)C)C4=CC=C(C=C4)OC)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OCC(C)C)C)C4=CC=C(C=C4)OC)Br)O

InChI

InChI=1S/C30H34BrNO6/c1-6-37-25-14-20(11-22(31)29(25)34)27-26(30(35)38-15-16(2)3)17(4)32-23-12-19(13-24(33)28(23)27)18-7-9-21(36-5)10-8-18/h7-12,14,16,19,27-28,32,34H,6,13,15H2,1-5H3