6,7-dimethoxy-1-[3-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]phenyl]carbonyl-isoquinoline-4-carboxylic acid

Systemtic Name: 6,7-dimethoxy-1-[3-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]phenyl]carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 1-[3-[2-(isopropylamino)-2-oxo-ethoxy]benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid CAS Name: 6,7-dimethoxy-1-[oxo-[3-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6,7-dimethoxy-1-[3-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]isoquinoline-4-carboxylic acid Traditional Name: 1-[3-[2-(isopropylamino)-2-keto-ethoxy]benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C24H24N2O7 MolecularWeight: 452.45656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=O)O

Isomeric SMILES

CC(C)NC(=O)COC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=O)O

InChI

InChI=1S/C24H24N2O7/c1-13(2)26-21(27)12-33-15-7-5-6-14(8-15)23(28)22-17-10-20(32-4)19(31-3)9-16(17)18(11-25-22)24(29)30/h5-11,13H,12H2,1-4H3,(H,26,27)(H,29,30)