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

Systemtic Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-phenethyl-amino]butanoate hydrochloride Openeye Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-phenethyl-amino]butanoate hydrochloride CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-phenethylamino]butanoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-phenethylamino]butanoate hydrochloride Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]-phenethyl-amino]butyric acid methyl ester hydrochloride Formula: C26H35ClN4O3 MolecularWeight: 487.0341

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN(CCC1=CC=CC=C1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)CCCN(CCC1=CC=CC=C1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C26H34N4O3.ClH/c1-33-24(31)8-5-16-30(17-13-20-6-3-2-4-7-20)26(32)22-14-18-29(19-15-22)23-11-9-21(10-12-23)25(27)28;/h2-4,6-7,9-12,22H,5,8,13-19H2,1H3,(H3,27,28);1H