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

Systemtic Name: 1-[3-(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)oxyphenyl]carbonyl-6,7-dimethoxy-isoquinoline-4-carboxylic acid Openeye Name: 1-[3-(1-carbamoyl-2-methyl-propoxy)benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid CAS Name: 1-[[3-(1-amino-3-methyl-1-oxobutan-2-yl)oxyphenyl]-oxomethyl]-6,7-dimethoxy-4-isoquinolinecarboxylic acid IUPAC Name: 1-[3-(1-amino-3-methyl-1-oxobutan-2-yl)oxybenzoyl]-6,7-dimethoxyisoquinoline-4-carboxylic acid Traditional Name: 1-[3-(1-carbamoyl-2-methyl-propoxy)benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C24H24N2O7 MolecularWeight: 452.45656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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