2-[4-(4-carbamimidoylphenoxy)carbonylphenyl]propanoic acid; phenylmethanamine

Systemtic Name: 2-[4-(4-carbamimidoylphenoxy)carbonylphenyl]propanoic acid; phenylmethanamine Openeye Name: 2-[4-(4-carbamimidoylphenoxy)carbonylphenyl]propanoic acid; phenylmethanamine CAS Name: 2-[4-[(4-carbamimidoylphenoxy)-oxomethyl]phenyl]propanoic acid; phenylmethanamine IUPAC Name: 2-[4-(4-carbamimidoylphenoxy)carbonylphenyl]propanoic acid; phenylmethanamine Traditional Name: 2-[4-(4-amidinophenoxy)carbonylphenyl]propionic acid; benzylamine Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)C(=O)O.C1=CC=C(C=C1)CN

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)C(=O)O.C1=CC=C(C=C1)CN

InChI

InChI=1S/C17H16N2O4.C7H9N/c1-10(16(20)21)11-2-4-13(5-3-11)17(22)23-14-8-6-12(7-9-14)15(18)19;8-6-7-4-2-1-3-5-7/h2-10H,1H3,(H3,18,19)(H,20,21);1-5H,6,8H2