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

Systemtic Name: 3-[7-[2-(3-methylpiperidin-4-yl)oxyethanoyl-phenylmethoxycarbonyl-amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Openeye Name: 3-[7-[benzyloxycarbonyl-[2-[(3-methyl-4-piperidyl)oxy]acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid CAS Name: 3-[7-[[2-[(3-methyl-4-piperidinyl)oxy]-1-oxoethyl]-phenylmethoxycarbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid IUPAC Name: 3-[7-[[2-(3-methylpiperidin-4-yl)oxyacetyl]-phenylmethoxycarbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Traditional Name: 3-[7-[carbobenzoxy-[2-[(3-methyl-4-piperidyl)oxy]acetyl]amino]-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:

CC1CNCCC1OCC(=O)N(C2=CC3=C(CCN(C3)CCC(=O)O)C=C2)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1CNCCC1OCC(=O)N(C2=CC3=C(CCN(C3)CCC(=O)O)C=C2)C(=O)OCC4=CC=CC=C4

InChI

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