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

Systemtic Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-(phenylmethyl)amino]butanoate Openeye Name: methyl 4-[benzyl-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]butanoate CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-(phenylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl 4-[benzyl-[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]butanoate Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]-benzyl-amino]butyric acid methyl ester Formula: C25H32N4O3 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCCN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H32N4O3/c1-32-23(30)8-5-15-29(18-19-6-3-2-4-7-19)25(31)21-13-16-28(17-14-21)22-11-9-20(10-12-22)24(26)27/h2-4,6-7,9-12,21H,5,8,13-18H2,1H3,(H3,26,27)