2-[[2-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxidanylidene-ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethanoic acid

Systemtic Name: 2-[[2-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxidanylidene-ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethanoic acid Openeye Name: 2-[[1-[(3,4-dimethoxyphenyl)methyl]-2-[2-(indan-1-ylamino)-2-oxo-ethyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetic acid CAS Name: 2-[[2-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetic acid IUPAC Name: 2-[[2-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetic acid Traditional Name: 2-[[2-[2-(indan-1-ylamino)-2-keto-ethyl]-6-methoxy-1-veratryl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]acetic acid Formula: C32H36N2O7 MolecularWeight: 560.63744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CC(=O)NC4CCC5=CC=CC=C45)OC)OCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CC(=O)NC4CCC5=CC=CC=C45)OC)OCC(=O)O)OC

InChI

InChI=1S/C32H36N2O7/c1-38-27-11-8-20(15-28(27)39-2)14-26-24-17-30(41-19-32(36)37)29(40-3)16-22(24)12-13-34(26)18-31(35)33-25-10-9-21-6-4-5-7-23(21)25/h4-8,11,15-17,25-26H,9-10,12-14,18-19H2,1-3H3,(H,33,35)(H,36,37)