2-[[N-(4-cyanophenyl)-N'-(phenylmethyl)carbamimidoyl]amino]ethanoic acid

Systemtic Name: 2-[[N-(4-cyanophenyl)-N'-(phenylmethyl)carbamimidoyl]amino]ethanoic acid Openeye Name: 2-[[N'-benzyl-N-(4-cyanophenyl)carbamimidoyl]amino]acetic acid CAS Name: 2-[[(4-cyanoanilino)-(phenylmethyl)iminomethyl]amino]acetic acid IUPAC Name: 2-[[N'-benzyl-N-(4-cyanophenyl)carbamimidoyl]amino]acetic acid Traditional Name: 2-[[N'-benzyl-N-(4-cyanophenyl)amidino]amino]acetic acid Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN=C(NCC(=O)O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN=C(NCC(=O)O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H16N4O2/c18-10-13-6-8-15(9-7-13)21-17(20-12-16(22)23)19-11-14-4-2-1-3-5-14/h1-9H,11-12H2,(H,22,23)(H2,19,20,21)