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

Systemtic Name: 3-[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]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid CAS Name: 3-[7-[[1-oxo-2-[(1-phenylmethoxycarbonyl-4-piperidinyl)oxy]ethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid IUPAC Name: 3-[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]-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC(=O)NC2=CC3=C(CCN(C3)CCC(=O)O)C=C2)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1OCC(=O)NC2=CC3=C(CCN(C3)CCC(=O)O)C=C2)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O6/c31-25(28-23-7-6-21-8-12-29(13-11-26(32)33)17-22(21)16-23)19-35-24-9-14-30(15-10-24)27(34)36-18-20-4-2-1-3-5-20/h1-7,16,24H,8-15,17-19H2,(H,28,31)(H,32,33)