2-[3-methoxycarbonyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinolin-2-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-[3-methoxycarbonyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinolin-2-yl]-3-phenyl-propanoic acid Openeye Name: 2-[3-methoxycarbonyl-1-oxo-4-(3,4,5-trimethoxyphenyl)-2-isoquinolyl]-3-phenyl-propanoic acid CAS Name: 2-[3-methoxycarbonyl-1-oxo-4-(3,4,5-trimethoxyphenyl)-2-isoquinolinyl]-3-phenylpropanoic acid IUPAC Name: 2-[3-methoxycarbonyl-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinolin-2-yl]-3-phenylpropanoic acid Traditional Name: 2-[3-carbomethoxy-1-keto-4-(3,4,5-trimethoxyphenyl)-2-isoquinolyl]-3-phenyl-propionic acid Formula: C29H27NO8 MolecularWeight: 517.52658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)C(CC4=CC=CC=C4)C(=O)O)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)C(CC4=CC=CC=C4)C(=O)O)C(=O)OC

InChI

InChI=1S/C29H27NO8/c1-35-22-15-18(16-23(36-2)26(22)37-3)24-19-12-8-9-13-20(19)27(31)30(25(24)29(34)38-4)21(28(32)33)14-17-10-6-5-7-11-17/h5-13,15-16,21H,14H2,1-4H3,(H,32,33)