4-(3-carbamimidoylphenoxy)-3-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]carbonylamino]butanoic acid

Systemtic Name: 4-(3-carbamimidoylphenoxy)-3-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]carbonylamino]butanoic acid Openeye Name: 4-(3-carbamimidoylphenoxy)-3-[[4-[(1-ethanimidoyl-4-piperidyl)oxy]benzoyl]amino]butanoic acid CAS Name: 4-(3-carbamimidoylphenoxy)-3-[[[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-(3-carbamimidoylphenoxy)-3-[[4-(1-ethanimidoylpiperidin-4-yl)oxybenzoyl]amino]butanoic acid Traditional Name: 3-[[4-[(1-acetimidoyl-4-piperidyl)oxy]benzoyl]amino]-4-(3-amidinophenoxy)butyric acid Formula: C25H31N5O5 MolecularWeight: 481.54414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)NC(CC(=O)O)COC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)NC(CC(=O)O)COC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C25H31N5O5/c1-16(26)30-11-9-21(10-12-30)35-20-7-5-17(6-8-20)25(33)29-19(14-23(31)32)15-34-22-4-2-3-18(13-22)24(27)28/h2-8,13,19,21,26H,9-12,14-15H2,1H3,(H3,27,28)(H,29,33)(H,31,32)