3-[7-[(2-oxidanylidene-3-piperidin-4-yloxy-propyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[7-[(2-oxidanylidene-3-piperidin-4-yloxy-propyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Openeye Name: 3-[7-[[2-oxo-3-(4-piperidyloxy)propyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid CAS Name: 3-[7-[[2-oxo-3-(4-piperidinyloxy)propyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid IUPAC Name: 3-[7-[(2-oxo-3-piperidin-4-yloxypropyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Traditional Name: 3-[7-[[2-keto-3-(4-piperidyloxy)propyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OCC(=O)CNC2=CC3=C(CCN(C3)CCC(=O)O)C=C2

Isomeric SMILES

C1CNCCC1OCC(=O)CNC2=CC3=C(CCN(C3)CCC(=O)O)C=C2

InChI

InChI=1S/C20H29N3O4/c24-18(14-27-19-3-7-21-8-4-19)12-22-17-2-1-15-5-9-23(10-6-20(25)26)13-16(15)11-17/h1-2,11,19,21-22H,3-10,12-14H2,(H,25,26)