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

Systemtic Name: 6,7-dimethoxy-1-[3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethoxy]phenyl]carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 6,7-dimethoxy-1-[3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethoxy]benzoyl]isoquinoline-4-carboxylic acid CAS Name: 6,7-dimethoxy-1-[[3-[2-(4-methyl-1-piperazinyl)-2-oxoethoxy]phenyl]-oxomethyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6,7-dimethoxy-1-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzoyl]isoquinoline-4-carboxylic acid Traditional Name: 1-[3-[2-keto-2-(4-methylpiperazino)ethoxy]benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C26H27N3O7 MolecularWeight: 493.50848

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)COC2=CC=CC(=C2)C(=O)C3=NC=C(C4=CC(=C(C=C43)OC)OC)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)COC2=CC=CC(=C2)C(=O)C3=NC=C(C4=CC(=C(C=C43)OC)OC)C(=O)O

InChI

InChI=1S/C26H27N3O7/c1-28-7-9-29(10-8-28)23(30)15-36-17-6-4-5-16(11-17)25(31)24-19-13-22(35-3)21(34-2)12-18(19)20(14-27-24)26(32)33/h4-6,11-14H,7-10,15H2,1-3H3,(H,32,33)