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

Systemtic Name: 6,7-dimethoxy-1-[3-[2-oxidanylidene-2-(1-phenylethylamino)ethoxy]phenyl]carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 6,7-dimethoxy-1-[3-[2-oxo-2-(1-phenylethylamino)ethoxy]benzoyl]isoquinoline-4-carboxylic acid CAS Name: 6,7-dimethoxy-1-[oxo-[3-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]methyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6,7-dimethoxy-1-[3-[2-oxo-2-(1-phenylethylamino)ethoxy]benzoyl]isoquinoline-4-carboxylic acid Traditional Name: 1-[3-[2-keto-2-(1-phenylethylamino)ethoxy]benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C29H26N2O7 MolecularWeight: 514.52594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC2=CC=CC(=C2)C(=O)C3=NC=C(C4=CC(=C(C=C43)OC)OC)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)COC2=CC=CC(=C2)C(=O)C3=NC=C(C4=CC(=C(C=C43)OC)OC)C(=O)O

InChI

InChI=1S/C29H26N2O7/c1-17(18-8-5-4-6-9-18)31-26(32)16-38-20-11-7-10-19(12-20)28(33)27-22-14-25(37-3)24(36-2)13-21(22)23(15-30-27)29(34)35/h4-15,17H,16H2,1-3H3,(H,31,32)(H,34,35)