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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OCC(=O)NC2=CC3=C(CCNC3CCC(=O)O)C=C2

Isomeric SMILES

C1CNCCC1OCC(=O)NC2=CC3=C(CCNC3CCC(=O)O)C=C2

InChI

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