2-(1-methoxycarbonyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanoic acid

Systemtic Name: 2-(1-methoxycarbonyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanoic acid Openeye Name: 2-(6-benzyloxy-1-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid CAS Name: 2-(1-methoxycarbonyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid IUPAC Name: 2-(1-methoxycarbonyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid Traditional Name: 2-(6-benzoxy-1-carbomethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2=C(CCN1CC(=O)O)C=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1C2=C(CCN1CC(=O)O)C=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO5/c1-25-20(24)19-17-8-7-16(26-13-14-5-3-2-4-6-14)11-15(17)9-10-21(19)12-18(22)23/h2-8,11,19H,9-10,12-13H2,1H3,(H,22,23)