5-[(5,6,7-trimethoxyisoquinolin-3-yl)carbonylamino]-1H-indole-2-carboxylic acid

Systemtic Name: 5-[(5,6,7-trimethoxyisoquinolin-3-yl)carbonylamino]-1H-indole-2-carboxylic acid Openeye Name: 5-[(5,6,7-trimethoxyisoquinoline-3-carbonyl)amino]-1H-indole-2-carboxylic acid CAS Name: 5-[[oxo-(5,6,7-trimethoxy-3-isoquinolinyl)methyl]amino]-1H-indole-2-carboxylic acid IUPAC Name: 5-[(5,6,7-trimethoxyisoquinoline-3-carbonyl)amino]-1H-indole-2-carboxylic acid Traditional Name: 5-[(5,6,7-trimethoxyisoquinoline-3-carbonyl)amino]-1H-indole-2-carboxylic acid Formula: C22H19N3O6 MolecularWeight: 421.40276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C=C(N=CC2=C1)C(=O)NC3=CC4=C(C=C3)NC(=C4)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C2C=C(N=CC2=C1)C(=O)NC3=CC4=C(C=C3)NC(=C4)C(=O)O)OC)OC

InChI

InChI=1S/C22H19N3O6/c1-29-18-8-12-10-23-16(9-14(12)19(30-2)20(18)31-3)21(26)24-13-4-5-15-11(6-13)7-17(25-15)22(27)28/h4-10,25H,1-3H3,(H,24,26)(H,27,28)