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

Systemtic Name: 3-[3,3-dimethyl-1-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyethanoylamino]-1,4-dihydroisoquinolin-2-yl]propanoic acid Openeye Name: 3-[1-[[2-[(1-benzyloxycarbonyl-4-piperidyl)oxy]acetyl]amino]-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl]propanoic acid CAS Name: 3-[3,3-dimethyl-1-[[1-oxo-2-[(1-phenylmethoxycarbonyl-4-piperidinyl)oxy]ethyl]amino]-1,4-dihydroisoquinolin-2-yl]propanoic acid IUPAC Name: 3-[3,3-dimethyl-1-[[2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetyl]amino]-1,4-dihydroisoquinolin-2-yl]propanoic acid Traditional Name: 3-[1-[[2-[(1-carbobenzoxy-4-piperidyl)oxy]acetyl]amino]-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl]propionic acid Formula: C29H37N3O6 MolecularWeight: 523.62058

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(N1CCC(=O)O)NC(=O)COC3CCN(CC3)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(N1CCC(=O)O)NC(=O)COC3CCN(CC3)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C29H37N3O6/c1-29(2)18-22-10-6-7-11-24(22)27(32(29)17-14-26(34)35)30-25(33)20-37-23-12-15-31(16-13-23)28(36)38-19-21-8-4-3-5-9-21/h3-11,23,27H,12-20H2,1-2H3,(H,30,33)(H,34,35)