4-[[[4-(2-azanylethylcarbamoyl)phenyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[4-(2-azanylethylcarbamoyl)phenyl]amino]methyl]benzoic acid Openeye Name: 4-[[4-(2-aminoethylcarbamoyl)anilino]methyl]benzoic acid CAS Name: 4-[[4-[(2-aminoethylamino)-oxomethyl]anilino]methyl]benzoic acid IUPAC Name: 4-[[4-(2-aminoethylcarbamoyl)anilino]methyl]benzoic acid Traditional Name: 4-[[4-(2-aminoethylcarbamoyl)anilino]methyl]benzoic acid Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC=C(C=C2)C(=O)NCCN)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=CC=C(C=C2)C(=O)NCCN)C(=O)O

InChI

InChI=1S/C17H19N3O3/c18-9-10-19-16(21)13-5-7-15(8-6-13)20-11-12-1-3-14(4-2-12)17(22)23/h1-8,20H,9-11,18H2,(H,19,21)(H,22,23)