3-[1-[2-(2,6-dimethylpiperidin-4-yl)oxyethanoylamino]-1-phenylmethoxycarbonyl-3,4-dihydroisoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[1-[2-(2,6-dimethylpiperidin-4-yl)oxyethanoylamino]-1-phenylmethoxycarbonyl-3,4-dihydroisoquinolin-2-yl]propanoic acid Openeye Name: 3-[1-benzyloxycarbonyl-1-[[2-[(2,6-dimethyl-4-piperidyl)oxy]acetyl]amino]-3,4-dihydroisoquinolin-2-yl]propanoic acid CAS Name: 3-[1-[[2-[(2,6-dimethyl-4-piperidinyl)oxy]-1-oxoethyl]amino]-1-phenylmethoxycarbonyl-3,4-dihydroisoquinolin-2-yl]propanoic acid IUPAC Name: 3-[1-[[2-(2,6-dimethylpiperidin-4-yl)oxyacetyl]amino]-1-phenylmethoxycarbonyl-3,4-dihydroisoquinolin-2-yl]propanoic acid Traditional Name: 3-[1-carbobenzoxy-1-[[2-[(2,6-dimethyl-4-piperidyl)oxy]acetyl]amino]-3,4-dihydroisoquinolin-2-yl]propionic acid Formula: C29H37N3O6 MolecularWeight: 523.62058

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(N1)C)OCC(=O)NC2(C3=CC=CC=C3CCN2CCC(=O)O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1CC(CC(N1)C)OCC(=O)NC2(C3=CC=CC=C3CCN2CCC(=O)O)C(=O)OCC4=CC=CC=C4

InChI

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