methyl 1-[2-[(4-carbamimidoylphenyl)carbonyl-methyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(4-carbamimidoylphenyl)carbonyl-methyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(4-carbamimidoylbenzoyl)-methyl-amino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[(4-carbamimidoylphenyl)-oxomethyl]-methylamino]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(4-carbamimidoylbenzoyl)-methylamino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-amidinobenzoyl)-methyl-amino]acetyl]isonipecotic acid methyl ester Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCC(CC1)C(=O)OC)C(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CN(CC(=O)N1CCC(CC1)C(=O)OC)C(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C18H24N4O4/c1-21(17(24)13-5-3-12(4-6-13)16(19)20)11-15(23)22-9-7-14(8-10-22)18(25)26-2/h3-6,14H,7-11H2,1-2H3,(H3,19,20)