6,7-dimethoxy-1-[3-(2-pyrrolidin-1-ylethanoylamino)phenyl]carbonyl-isoquinoline-4-carboxylic acid

Systemtic Name: 6,7-dimethoxy-1-[3-(2-pyrrolidin-1-ylethanoylamino)phenyl]carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 6,7-dimethoxy-1-[3-[(2-pyrrolidin-1-ylacetyl)amino]benzoyl]isoquinoline-4-carboxylic acid CAS Name: 6,7-dimethoxy-1-[oxo-[3-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenyl]methyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6,7-dimethoxy-1-[3-[(2-pyrrolidin-1-ylacetyl)amino]benzoyl]isoquinoline-4-carboxylic acid Traditional Name: 6,7-dimethoxy-1-[3-[(2-pyrrolidinoacetyl)amino]benzoyl]isoquinoline-4-carboxylic acid Formula: C25H25N3O6 MolecularWeight: 463.4825

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC(=CC=C3)NC(=O)CN4CCCC4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC(=CC=C3)NC(=O)CN4CCCC4)C(=O)O)OC

InChI

InChI=1S/C25H25N3O6/c1-33-20-11-17-18(12-21(20)34-2)23(26-13-19(17)25(31)32)24(30)15-6-5-7-16(10-15)27-22(29)14-28-8-3-4-9-28/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,27,29)(H,31,32)