2-[3-[4-(4-carbamimidoylphenyl)phenyl]propyl]propanedioic acid; N-methylmethanamide

Systemtic Name: 2-[3-[4-(4-carbamimidoylphenyl)phenyl]propyl]propanedioic acid; N-methylmethanamide Openeye Name: 2-[3-[4-(4-carbamimidoylphenyl)phenyl]propyl]propanedioic acid; N-methylformamide CAS Name: 2-[3-[4-(4-carbamimidoylphenyl)phenyl]propyl]propanedioic acid; N-methylformamide IUPAC Name: 2-[3-[4-(4-carbamimidoylphenyl)phenyl]propyl]propanedioic acid; N-methylformamide Traditional Name: 2-[3-[4-(4-amidinophenyl)phenyl]propyl]malonic acid; N-methylformamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CNC=O.C1=CC(=CC=C1CCCC(C(=O)O)C(=O)O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CNC=O.C1=CC(=CC=C1CCCC(C(=O)O)C(=O)O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H20N2O4.C2H5NO/c20-17(21)15-10-8-14(9-11-15)13-6-4-12(5-7-13)2-1-3-16(18(22)23)19(24)25;1-3-2-4/h4-11,16H,1-3H2,(H3,20,21)(H,22,23)(H,24,25);2H,1H3,(H,3,4)