3-[7-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyethanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid

Systemtic Name: 3-[7-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyethanoylamino]-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid Openeye Name: 3-[7-[[2-[(1-benzyloxycarbonyl-4-piperidyl)oxy]acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid CAS Name: 3-[7-[[1-oxo-2-[(1-phenylmethoxycarbonyl-4-piperidinyl)oxy]ethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid IUPAC Name: 3-[7-[[2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid Traditional Name: 3-[7-[[2-[(1-carbobenzoxy-4-piperidyl)oxy]acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]butyric acid Formula: C28H35N3O6 MolecularWeight: 509.594

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)N1CCC2=C(C1)C=C(C=C2)NC(=O)COC3CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(CC(=O)O)N1CCC2=C(C1)C=C(C=C2)NC(=O)COC3CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

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