6,7-dimethoxy-1-[3-[(E)-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-enyl]phenyl]carbonyl-isoquinoline-4-carboxylic acid

Systemtic Name: 6,7-dimethoxy-1-[3-[(E)-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-enyl]phenyl]carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 6,7-dimethoxy-1-[3-[(E)-3-oxo-3-pyrrolidin-1-yl-prop-1-enyl]benzoyl]isoquinoline-4-carboxylic acid CAS Name: 6,7-dimethoxy-1-[oxo-[3-[(E)-3-oxo-3-(1-pyrrolidinyl)prop-1-enyl]phenyl]methyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6,7-dimethoxy-1-[3-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]benzoyl]isoquinoline-4-carboxylic acid Traditional Name: 1-[3-[(E)-3-keto-3-pyrrolidino-prop-1-enyl]benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C26H24N2O6 MolecularWeight: 460.47856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC=CC(=C3)C=CC(=O)N4CCCC4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC=CC(=C3)/C=C/C(=O)N4CCCC4)C(=O)O)OC

InChI

InChI=1S/C26H24N2O6/c1-33-21-13-18-19(14-22(21)34-2)24(27-15-20(18)26(31)32)25(30)17-7-5-6-16(12-17)8-9-23(29)28-10-3-4-11-28/h5-9,12-15H,3-4,10-11H2,1-2H3,(H,31,32)/b9-8+