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

Systemtic Name: 1-[3-[2-(2-chloroethyloxy)ethoxy]phenyl]carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid Openeye Name: 1-[3-[2-(2-chloroethoxy)ethoxy]benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid CAS Name: 1-[[3-[2-(2-chloroethoxy)ethoxy]phenyl]-oxomethyl]-6,7-dimethoxy-4-isoquinolinecarboxylic acid IUPAC Name: 1-[3-[2-(2-chloroethoxy)ethoxy]benzoyl]-6,7-dimethoxyisoquinoline-4-carboxylic acid Traditional Name: 1-[3-[2-(2-chloroethoxy)ethoxy]benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C23H22ClNO7 MolecularWeight: 459.87628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClNO7/c1-29-19-11-16-17(12-20(19)30-2)21(25-13-18(16)23(27)28)22(26)14-4-3-5-15(10-14)32-9-8-31-7-6-24/h3-5,10-13H,6-9H2,1-2H3,(H,27,28)