methyl 2-(4-aminophenyl)-1-oxidanylidene-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate chloride

Systemtic Name: methyl 2-(4-aminophenyl)-1-oxidanylidene-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate chloride Openeye Name: methyl 2-(4-aminophenyl)-7-benzyloxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate chloride CAS Name: 2-(4-aminophenyl)-1-oxo-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester chloride IUPAC Name: methyl 2-(4-aminophenyl)-1-oxo-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate chloride Traditional Name: 2-(4-aminophenyl)-7-benzoxy-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester chloride Formula: C33H30ClN2O7- MolecularWeight: 602.0535

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)N)C(=O)OC.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)N)C(=O)OC.[Cl-]

InChI

InChI=1S/C33H30N2O7.ClH/c1-38-27-16-21(17-28(39-2)31(27)40-3)29-25-15-14-24(42-19-20-8-6-5-7-9-20)18-26(25)32(36)35(30(29)33(37)41-4)23-12-10-22(34)11-13-23;/h5-18H,19,34H2,1-4H3;1H/p-1