6-methoxy-2-morpholin-4-yl-1-oxidanylidene-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid

Systemtic Name: 6-methoxy-2-morpholin-4-yl-1-oxidanylidene-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid Openeye Name: 7-benzyloxy-6-methoxy-2-morpholino-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid CAS Name: 6-methoxy-2-(4-morpholinyl)-1-oxo-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid IUPAC Name: 6-methoxy-2-morpholin-4-yl-1-oxo-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid Traditional Name: 7-benzoxy-1-keto-6-methoxy-2-morpholino-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid Formula: C31H32N2O9 MolecularWeight: 576.59378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OCC4=CC=CC=C4)N5CCOCC5)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OCC4=CC=CC=C4)N5CCOCC5)C(=O)O

InChI

InChI=1S/C31H32N2O9/c1-37-23-16-21-22(17-24(23)42-18-19-8-6-5-7-9-19)30(34)33(32-10-12-41-13-11-32)28(31(35)36)27(21)20-14-25(38-2)29(40-4)26(15-20)39-3/h5-9,14-17H,10-13,18H2,1-4H3,(H,35,36)