methyl 3-[4-[(4-pyridin-4-ylpiperazin-1-yl)carbonylamino]phenyl]propanoate hydrochloride

Systemtic Name: methyl 3-[4-[(4-pyridin-4-ylpiperazin-1-yl)carbonylamino]phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[[4-(4-pyridyl)piperazine-1-carbonyl]amino]phenyl]propanoate hydrochloride CAS Name: 3-[4-[[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]amino]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[[4-(4-pyridyl)piperazine-1-carbonyl]amino]phenyl]propionic acid methyl ester hydrochloride Formula: C20H25ClN4O3 MolecularWeight: 404.8905

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=NC=C3.Cl

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=NC=C3.Cl

InChI

InChI=1S/C20H24N4O3.ClH/c1-27-19(25)7-4-16-2-5-17(6-3-16)22-20(26)24-14-12-23(13-15-24)18-8-10-21-11-9-18;/h2-3,5-6,8-11H,4,7,12-15H2,1H3,(H,22,26);1H