4-[4-(4-carbamimidoylphenyl)phenyl]butanoic acid; N-methylmethanamide

Systemtic Name: 4-[4-(4-carbamimidoylphenyl)phenyl]butanoic acid; N-methylmethanamide Openeye Name: 4-[4-(4-carbamimidoylphenyl)phenyl]butanoic acid; N-methylformamide CAS Name: 4-[4-(4-carbamimidoylphenyl)phenyl]butanoic acid; N-methylformamide IUPAC Name: 4-[4-(4-carbamimidoylphenyl)phenyl]butanoic acid; N-methylformamide Traditional Name: 4-[4-(4-amidinophenyl)phenyl]butyric acid; N-methylformamide Formula: C19H23N3O3 MolecularWeight: 341.40422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2.C2H5NO/c18-17(19)15-10-8-14(9-11-15)13-6-4-12(5-7-13)2-1-3-16(20)21;1-3-2-4/h4-11H,1-3H2,(H3,18,19)(H,20,21);2H,1H3,(H,3,4)