2-[2-(1,3-benzodioxol-5-ylcarbamoyl)-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylcarbamoyl)-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-ylcarbamoyl)-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylcarbamoyl)-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-(1,3-benzodioxol-5-ylcarbamoyl)-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C23H26N2O7 MolecularWeight: 442.46174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC4=C(C=C3)OCO4)CC(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NC3=CC4=C(C=C3)OCO4)CC(=O)O)OCC

InChI

InChI=1S/C23H26N2O7/c1-3-29-19-9-14-7-8-25(17(12-22(26)27)16(14)11-21(19)30-4-2)23(28)24-15-5-6-18-20(10-15)32-13-31-18/h5-6,9-11,17H,3-4,7-8,12-13H2,1-2H3,(H,24,28)(H,26,27)