methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-methyl-amino]butanoate

Systemtic Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-methyl-amino]butanoate Openeye Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-methyl-amino]butanoate CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-methylamino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-methylamino]butanoate Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]-methyl-amino]butyric acid methyl ester Formula: C19H28N4O3 MolecularWeight: 360.45062

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)OC)C(=O)C1CCN(CC1)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CN(CCCC(=O)OC)C(=O)C1CCN(CC1)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H28N4O3/c1-22(11-3-4-17(24)26-2)19(25)15-9-12-23(13-10-15)16-7-5-14(6-8-16)18(20)21/h5-8,15H,3-4,9-13H2,1-2H3,(H3,20,21)