methyl 2-[1-[4-(5-carbamimidoylpyridin-2-yl)phenyl]carbonylpiperidin-4-yl]ethanoate

Systemtic Name: methyl 2-[1-[4-(5-carbamimidoylpyridin-2-yl)phenyl]carbonylpiperidin-4-yl]ethanoate Openeye Name: methyl 2-[1-[4-(5-carbamimidoyl-2-pyridyl)benzoyl]-4-piperidyl]acetate CAS Name: 2-[1-[[4-(5-carbamimidoyl-2-pyridinyl)phenyl]-oxomethyl]-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[4-(5-carbamimidoylpyridin-2-yl)benzoyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[4-(5-amidino-2-pyridyl)benzoyl]-4-piperidyl]acetic acid methyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=NC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CC1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=NC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H24N4O3/c1-28-19(26)12-14-8-10-25(11-9-14)21(27)16-4-2-15(3-5-16)18-7-6-17(13-24-18)20(22)23/h2-7,13-14H,8-12H2,1H3,(H3,22,23)