methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-(3-phenylpropyl)amino]butanoate

Systemtic Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-(3-phenylpropyl)amino]butanoate Openeye Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-(3-phenylpropyl)amino]butanoate CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-(3-phenylpropyl)amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-(3-phenylpropyl)amino]butanoate Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]-(3-phenylpropyl)amino]butyric acid methyl ester Formula: C27H36N4O3 MolecularWeight: 464.59974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN(CCCC1=CC=CC=C1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCCN(CCCC1=CC=CC=C1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H36N4O3/c1-34-25(32)10-6-18-31(17-5-9-21-7-3-2-4-8-21)27(33)23-15-19-30(20-16-23)24-13-11-22(12-14-24)26(28)29/h2-4,7-8,11-14,23H,5-6,9-10,15-20H2,1H3,(H3,28,29)