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

Systemtic Name: 3-[1-methyl-7-(2-piperidin-4-yloxyethanoylamino)-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid hydrochloride Openeye Name: 3-[1-methyl-7-[[2-(4-piperidyloxy)acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid hydrochloride CAS Name: 3-[1-methyl-7-[[1-oxo-2-(4-piperidinyloxy)ethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid hydrochloride IUPAC Name: 3-[1-methyl-7-[(2-piperidin-4-yloxyacetyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid hydrochloride Traditional Name: 3-[1-methyl-7-[[2-(4-piperidyloxy)acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid hydrochloride Formula: C20H30ClN3O4 MolecularWeight: 411.9229

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CCN1CCC(=O)O)C=CC(=C2)NC(=O)COC3CCNCC3.Cl

Isomeric SMILES

CC1C2=C(CCN1CCC(=O)O)C=CC(=C2)NC(=O)COC3CCNCC3.Cl

InChI

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