methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-2-(phenylmethyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-2-(phenylmethyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-benzyl-4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-2-(phenylmethyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-benzyl-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 2-benzyl-4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-isoquinoline-3-carboxylic acid methyl ester Formula: C28H26BrNO7 MolecularWeight: 568.41254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)CC4=CC=CC=C4)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)CC4=CC=CC=C4)C(=O)OC)Br)OC

InChI

InChI=1S/C28H26BrNO7/c1-33-21-13-18-19(14-22(21)34-2)27(31)30(15-16-9-7-6-8-10-16)25(28(32)37-5)24(18)17-11-20(29)26(36-4)23(12-17)35-3/h6-14H,15H2,1-5H3