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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC2=C1C=CC(=C2)NC(=O)COC3CCN(CC3)C(=O)OCC4=CC=CC=C4)CCC(=O)O

Isomeric SMILES

CC1CN(CC2=C1C=CC(=C2)NC(=O)COC3CCN(CC3)C(=O)OCC4=CC=CC=C4)CCC(=O)O

InChI

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