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

Systemtic Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-phenethyl-amino]butanoate Openeye Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-phenethyl-amino]butanoate CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-phenethylamino]butanoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-phenethylamino]butanoate Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]-phenethyl-amino]butyric acid methyl ester Formula: C26H34N4O3 MolecularWeight: 450.57316

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O3/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)