3-[1-methyl-1-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyethanoylamino]-3,4-dihydroisoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[1-methyl-1-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyethanoylamino]-3,4-dihydroisoquinolin-2-yl]propanoic acid Openeye Name: 3-[1-[[2-[(1-benzyloxycarbonyl-4-piperidyl)oxy]acetyl]amino]-1-methyl-3,4-dihydroisoquinolin-2-yl]propanoic acid CAS Name: 3-[1-methyl-1-[[1-oxo-2-[(1-phenylmethoxycarbonyl-4-piperidinyl)oxy]ethyl]amino]-3,4-dihydroisoquinolin-2-yl]propanoic acid IUPAC Name: 3-[1-methyl-1-[[2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetyl]amino]-3,4-dihydroisoquinolin-2-yl]propanoic acid Traditional Name: 3-[1-[[2-[(1-carbobenzoxy-4-piperidyl)oxy]acetyl]amino]-1-methyl-3,4-dihydroisoquinolin-2-yl]propionic acid Formula: C28H35N3O6 MolecularWeight: 509.594

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2CCN1CCC(=O)O)NC(=O)COC3CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1(C2=CC=CC=C2CCN1CCC(=O)O)NC(=O)COC3CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O6/c1-28(24-10-6-5-9-22(24)11-17-31(28)18-14-26(33)34)29-25(32)20-36-23-12-15-30(16-13-23)27(35)37-19-21-7-3-2-4-8-21/h2-10,23H,11-20H2,1H3,(H,29,32)(H,33,34)