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

Systemtic Name: 3-[7-(2-piperidin-4-yloxyethanoylamino)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Openeye Name: 3-[7-[[2-(4-piperidyloxy)acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid CAS Name: 3-[7-[[1-oxo-2-(4-piperidinyloxy)ethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid IUPAC Name: 3-[7-[(2-piperidin-4-yloxyacetyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Traditional Name: 3-[7-[[2-(4-piperidyloxy)acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OCC(=O)NC2=CC3=C(CCN(C3)CCC(=O)O)C=C2

Isomeric SMILES

C1CNCCC1OCC(=O)NC2=CC3=C(CCN(C3)CCC(=O)O)C=C2

InChI

InChI=1S/C19H27N3O4/c23-18(13-26-17-3-7-20-8-4-17)21-16-2-1-14-5-9-22(10-6-19(24)25)12-15(14)11-16/h1-2,11,17,20H,3-10,12-13H2,(H,21,23)(H,24,25)