methyl 2-[1-[4-(4-carbamimidoylphenyl)piperidin-1-yl]carbonylpiperidin-4-yl]ethanoate

Systemtic Name: methyl 2-[1-[4-(4-carbamimidoylphenyl)piperidin-1-yl]carbonylpiperidin-4-yl]ethanoate Openeye Name: methyl 2-[1-[4-(4-carbamimidoylphenyl)piperidine-1-carbonyl]-4-piperidyl]acetate CAS Name: 2-[1-[[4-(4-carbamimidoylphenyl)-1-piperidinyl]-oxomethyl]-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[4-(4-carbamimidoylphenyl)piperidine-1-carbonyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[4-(4-amidinophenyl)piperidine-1-carbonyl]-4-piperidyl]acetic acid methyl ester Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCN(CC1)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CC1CCN(CC1)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H30N4O3/c1-28-19(26)14-15-6-10-24(11-7-15)21(27)25-12-8-17(9-13-25)16-2-4-18(5-3-16)20(22)23/h2-5,15,17H,6-14H2,1H3,(H3,22,23)