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

Systemtic Name: 6,7-dimethoxy-1-[3-[2-methyl-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 1-[3-[2-(isopropylamino)-1,1-dimethyl-2-oxo-ethoxy]benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid CAS Name: 6,7-dimethoxy-1-[[3-[2-methyl-1-oxo-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-oxomethyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6,7-dimethoxy-1-[3-[2-methyl-1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzoyl]isoquinoline-4-carboxylic acid Traditional Name: 1-[3-[2-(isopropylamino)-2-keto-1,1-dimethyl-ethoxy]benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C26H28N2O7 MolecularWeight: 480.50972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=O)O

Isomeric SMILES

CC(C)NC(=O)C(C)(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=O)O

InChI

InChI=1S/C26H28N2O7/c1-14(2)28-25(32)26(3,4)35-16-9-7-8-15(10-16)23(29)22-18-12-21(34-6)20(33-5)11-17(18)19(13-27-22)24(30)31/h7-14H,1-6H3,(H,28,32)(H,30,31)