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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCC1OCC(=O)NC2(C3=CC=CC=C3CCN2CCC(=O)O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1CNCCC1OCC(=O)NC2(C3=CC=CC=C3CCN2CCC(=O)O)C(=O)OCC4=CC=CC=C4

InChI

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