3-[7-[2-(2,6-dimethylpiperidin-4-yl)oxyethanoyl-phenylmethoxycarbonyl-amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[7-[2-(2,6-dimethylpiperidin-4-yl)oxyethanoyl-phenylmethoxycarbonyl-amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Openeye Name: 3-[7-[benzyloxycarbonyl-[2-[(2,6-dimethyl-4-piperidyl)oxy]acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid CAS Name: 3-[7-[[2-[(2,6-dimethyl-4-piperidinyl)oxy]-1-oxoethyl]-phenylmethoxycarbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid IUPAC Name: 3-[7-[[2-(2,6-dimethylpiperidin-4-yl)oxyacetyl]-phenylmethoxycarbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Traditional Name: 3-[7-[carbobenzoxy-[2-[(2,6-dimethyl-4-piperidyl)oxy]acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid Formula: C29H37N3O6 MolecularWeight: 523.62058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(N1)C)OCC(=O)N(C2=CC3=C(CCN(C3)CCC(=O)O)C=C2)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1CC(CC(N1)C)OCC(=O)N(C2=CC3=C(CCN(C3)CCC(=O)O)C=C2)C(=O)OCC4=CC=CC=C4

InChI

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