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

Systemtic Name: methyl 2-[1-[2-(4-carbamimidoylphenyl)-4-methoxy-pyrimidin-5-yl]carbonylpiperidin-4-yl]ethanoate hydrochloride Openeye Name: methyl 2-[1-[2-(4-carbamimidoylphenyl)-4-methoxy-pyrimidine-5-carbonyl]-4-piperidyl]acetate hydrochloride CAS Name: 2-[1-[[2-(4-carbamimidoylphenyl)-4-methoxy-5-pyrimidinyl]-oxomethyl]-4-piperidinyl]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[1-[2-(4-carbamimidoylphenyl)-4-methoxypyrimidine-5-carbonyl]piperidin-4-yl]acetate hydrochloride Traditional Name: 2-[1-[2-(4-amidinophenyl)-4-methoxy-pyrimidine-5-carbonyl]-4-piperidyl]acetic acid methyl ester hydrochloride Formula: C21H26ClN5O4 MolecularWeight: 447.91524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1C(=O)N2CCC(CC2)CC(=O)OC)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC1=NC(=NC=C1C(=O)N2CCC(CC2)CC(=O)OC)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C21H25N5O4.ClH/c1-29-17(27)11-13-7-9-26(10-8-13)21(28)16-12-24-19(25-20(16)30-2)15-5-3-14(4-6-15)18(22)23;/h3-6,12-13H,7-11H2,1-2H3,(H3,22,23);1H