3-[1-[methyl(2-piperidin-4-yloxyethanoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[1-[methyl(2-piperidin-4-yloxyethanoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Openeye Name: 3-[1-[methyl-[2-(4-piperidyloxy)acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid CAS Name: 3-[1-[methyl-[1-oxo-2-(4-piperidinyloxy)ethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid IUPAC Name: 3-[1-[methyl-(2-piperidin-4-yloxyacetyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid Traditional Name: 3-[1-[methyl-[2-(4-piperidyloxy)acetyl]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:

CN(C1C2=CC=CC=C2CCN1CCC(=O)O)C(=O)COC3CCNCC3

Isomeric SMILES

CN(C1C2=CC=CC=C2CCN1CCC(=O)O)C(=O)COC3CCNCC3

InChI

InChI=1S/C20H29N3O4/c1-22(18(24)14-27-16-6-10-21-11-7-16)20-17-5-3-2-4-15(17)8-12-23(20)13-9-19(25)26/h2-5,16,20-21H,6-14H2,1H3,(H,25,26)