4-(3-carbamimidoylphenoxy)-2-[[4-(piperidin-4-ylmethyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-(3-carbamimidoylphenoxy)-2-[[4-(piperidin-4-ylmethyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-(3-carbamimidoylphenoxy)-2-[[4-(4-piperidylmethyl)benzoyl]amino]butanoic acid CAS Name: 4-(3-carbamimidoylphenoxy)-2-[[oxo-[4-(4-piperidinylmethyl)phenyl]methyl]amino]butanoic acid IUPAC Name: 4-(3-carbamimidoylphenoxy)-2-[[4-(piperidin-4-ylmethyl)benzoyl]amino]butanoic acid Traditional Name: 4-(3-amidinophenoxy)-2-[[4-(4-piperidylmethyl)benzoyl]amino]butyric acid Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC2=CC=C(C=C2)C(=O)NC(CCOC3=CC=CC(=C3)C(=N)N)C(=O)O

Isomeric SMILES

C1CNCCC1CC2=CC=C(C=C2)C(=O)NC(CCOC3=CC=CC(=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C24H30N4O4/c25-22(26)19-2-1-3-20(15-19)32-13-10-21(24(30)31)28-23(29)18-6-4-16(5-7-18)14-17-8-11-27-12-9-17/h1-7,15,17,21,27H,8-14H2,(H3,25,26)(H,28,29)(H,30,31)