methyl 2-[1-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylpiperidin-4-yl]propanoate hydrochloride

Systemtic Name: methyl 2-[1-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylpiperidin-4-yl]propanoate hydrochloride Openeye Name: methyl 2-[1-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]-4-piperidyl]propanoate hydrochloride CAS Name: 2-[1-[[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]-oxomethyl]-4-piperidinyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 2-[1-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]piperidin-4-yl]propanoate hydrochloride Traditional Name: 2-[1-[5-(4-amidinophenyl)pyrimidine-2-carbonyl]-4-piperidyl]propionic acid methyl ester hydrochloride Formula: C21H26ClN5O3 MolecularWeight: 431.91584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(CC1)C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N)C(=O)OC.Cl

Isomeric SMILES

CC(C1CCN(CC1)C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N)C(=O)OC.Cl

InChI

InChI=1S/C21H25N5O3.ClH/c1-13(21(28)29-2)14-7-9-26(10-8-14)20(27)19-24-11-17(12-25-19)15-3-5-16(6-4-15)18(22)23;/h3-6,11-14H,7-10H2,1-2H3,(H3,22,23);1H