3-[3,3-dimethyl-7-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyethanoylamino]-1,4-dihydroisoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[3,3-dimethyl-7-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyethanoylamino]-1,4-dihydroisoquinolin-2-yl]propanoic acid Openeye Name: 3-[7-[[2-[(1-benzyloxycarbonyl-4-piperidyl)oxy]acetyl]amino]-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl]propanoic acid CAS Name: 3-[3,3-dimethyl-7-[[1-oxo-2-[(1-phenylmethoxycarbonyl-4-piperidinyl)oxy]ethyl]amino]-1,4-dihydroisoquinolin-2-yl]propanoic acid IUPAC Name: 3-[3,3-dimethyl-7-[[2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetyl]amino]-1,4-dihydroisoquinolin-2-yl]propanoic acid Traditional Name: 3-[7-[[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=C(CN1CCC(=O)O)C=C(C=C2)NC(=O)COC3CCN(CC3)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC2=C(CN1CCC(=O)O)C=C(C=C2)NC(=O)COC3CCN(CC3)C(=O)OCC4=CC=CC=C4)C

InChI

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