2-[6,7-dimethoxy-1-[3-(2-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)oxyphenyl]carbonyl-isoquinolin-4-yl]propanoic acid

Systemtic Name: 2-[6,7-dimethoxy-1-[3-(2-methyl-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)oxyphenyl]carbonyl-isoquinolin-4-yl]propanoic acid Openeye Name: 2-[1-[3-(1,1-dimethyl-2-oxo-2-pyrrolidin-1-yl-ethoxy)benzoyl]-6,7-dimethoxy-4-isoquinolyl]propanoic acid CAS Name: 2-[6,7-dimethoxy-1-[[3-[2-methyl-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]oxyphenyl]-oxomethyl]-4-isoquinolinyl]propanoic acid IUPAC Name: 2-[6,7-dimethoxy-1-[3-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoyl]isoquinolin-4-yl]propanoic acid Traditional Name: 2-[1-[3-(2-keto-1,1-dimethyl-2-pyrrolidino-ethoxy)benzoyl]-6,7-dimethoxy-4-isoquinolyl]propionic acid Formula: C29H32N2O7 MolecularWeight: 520.57358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=C(C2=CC(=C(C=C21)OC)OC)C(=O)C3=CC(=CC=C3)OC(C)(C)C(=O)N4CCCC4)C(=O)O

Isomeric SMILES

CC(C1=CN=C(C2=CC(=C(C=C21)OC)OC)C(=O)C3=CC(=CC=C3)OC(C)(C)C(=O)N4CCCC4)C(=O)O

InChI

InChI=1S/C29H32N2O7/c1-17(27(33)34)22-16-30-25(21-15-24(37-5)23(36-4)14-20(21)22)26(32)18-9-8-10-19(13-18)38-29(2,3)28(35)31-11-6-7-12-31/h8-10,13-17H,6-7,11-12H2,1-5H3,(H,33,34)