4-[[(4-carboxyphenyl)methylcarbamoylamino]methyl]benzoic acid

Systemtic Name: 4-[[(4-carboxyphenyl)methylcarbamoylamino]methyl]benzoic acid Openeye Name: 4-[[(4-carboxyphenyl)methylcarbamoylamino]methyl]benzoic acid CAS Name: 4-[[[[(4-carboxyphenyl)methylamino]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-carboxyphenyl)methylcarbamoylamino]methyl]benzoic acid Traditional Name: 4-[[(4-carboxybenzyl)carbamoylamino]methyl]benzoic acid Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)NCC2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)NCC2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C17H16N2O5/c20-15(21)13-5-1-11(2-6-13)9-18-17(24)19-10-12-3-7-14(8-4-12)16(22)23/h1-8H,9-10H2,(H,20,21)(H,22,23)(H2,18,19,24)