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

Systemtic Name: 2-methoxyethyl 4-(3-bromanyl-4-methoxy-phenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-methoxyethyl 4-(3-bromo-4-methoxy-phenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-bromo-4-methoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-(3-bromo-4-methoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-bromo-4-methoxy-phenyl)-5-keto-7-(2-methoxyphenyl)-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-methoxyethyl ester Formula: C28H30BrNO6 MolecularWeight: 556.4449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3OC)C4=CC(=C(C=C4)OC)Br)C(=O)OCCOC

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3OC)C4=CC(=C(C=C4)OC)Br)C(=O)OCCOC

InChI

InChI=1S/C28H30BrNO6/c1-16-25(28(32)36-12-11-33-2)26(17-9-10-24(35-4)20(29)13-17)27-21(30-16)14-18(15-22(27)31)19-7-5-6-8-23(19)34-3/h5-10,13-14,18,26-27,30H,11-12,15H2,1-4H3