4-[[2-azanylethyl(phenylcarbonyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[2-azanylethyl(phenylcarbonyl)amino]methyl]benzoic acid Openeye Name: 4-[[2-aminoethyl(benzoyl)amino]methyl]benzoic acid CAS Name: 4-[[2-aminoethyl(benzoyl)amino]methyl]benzoic acid IUPAC Name: 4-[[2-aminoethyl(benzoyl)amino]methyl]benzoic acid Traditional Name: 4-[[2-aminoethyl(benzoyl)amino]methyl]benzoic acid Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3/c18-10-11-19(16(20)14-4-2-1-3-5-14)12-13-6-8-15(9-7-13)17(21)22/h1-9H,10-12,18H2,(H,21,22)