3-[[2-azanylethyl(phenylcarbamoyl)amino]methyl]benzoic acid

Systemtic Name: 3-[[2-azanylethyl(phenylcarbamoyl)amino]methyl]benzoic acid Openeye Name: 3-[[2-aminoethyl(phenylcarbamoyl)amino]methyl]benzoic acid CAS Name: 3-[[2-aminoethyl-[anilino(oxo)methyl]amino]methyl]benzoic acid IUPAC Name: 3-[[2-aminoethyl(phenylcarbamoyl)amino]methyl]benzoic acid Traditional Name: 3-[[2-aminoethyl(phenylcarbamoyl)amino]methyl]benzoic acid Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)N(CCN)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)N(CCN)CC2=CC=CC(=C2)C(=O)O

InChI

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