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

Systemtic Name: 6-methoxy-7-[3-(2-pyrrolidin-1-ylethanoylamino)phenyl]carbonyl-isoquinoline-1-carboxylic acid Openeye Name: 6-methoxy-7-[3-[(2-pyrrolidin-1-ylacetyl)amino]benzoyl]isoquinoline-1-carboxylic acid CAS Name: 6-methoxy-7-[oxo-[3-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenyl]methyl]-1-isoquinolinecarboxylic acid IUPAC Name: 6-methoxy-7-[3-[(2-pyrrolidin-1-ylacetyl)amino]benzoyl]isoquinoline-1-carboxylic acid Traditional Name: 6-methoxy-7-[3-[(2-pyrrolidinoacetyl)amino]benzoyl]isoquinoline-1-carboxylic acid Formula: C24H23N3O5 MolecularWeight: 433.45652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O5/c1-32-20-12-15-7-8-25-22(24(30)31)18(15)13-19(20)23(29)16-5-4-6-17(11-16)26-21(28)14-27-9-2-3-10-27/h4-8,11-13H,2-3,9-10,14H2,1H3,(H,26,28)(H,30,31)