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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(C2=CC=CC=C12)NC(=O)COC3CCN(CC3)C(=O)OCC4=CC=CC=C4)CCC(=O)O

Isomeric SMILES

CC1CN(C(C2=CC=CC=C12)NC(=O)COC3CCN(CC3)C(=O)OCC4=CC=CC=C4)CCC(=O)O

InChI

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