2-[2-[4-(carboxymethyloxy)phenyl]ethylcarbamoyl]benzoic acid dihydrate

Systemtic Name: 2-[2-[4-(carboxymethyloxy)phenyl]ethylcarbamoyl]benzoic acid dihydrate Openeye Name: 2-[2-[4-(carboxymethyloxy)phenyl]ethylcarbamoyl]benzoic acid dihydrate CAS Name: 2-[[2-[4-(carboxymethyloxy)phenyl]ethylamino]-oxomethyl]benzoic acid dihydrate IUPAC Name: 2-[2-[4-(carboxymethyloxy)phenyl]ethylcarbamoyl]benzoic acid dihydrate Traditional Name: 2-[2-[4-(carboxymethyloxy)phenyl]ethylcarbamoyl]benzoic acid dihydrate Formula: C18H21NO8 MolecularWeight: 379.36124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCC2=CC=C(C=C2)OCC(=O)O)C(=O)O.O.O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCC2=CC=C(C=C2)OCC(=O)O)C(=O)O.O.O

InChI

InChI=1S/C18H17NO6.2H2O/c20-16(21)11-25-13-7-5-12(6-8-13)9-10-19-17(22)14-3-1-2-4-15(14)18(23)24;;/h1-8H,9-11H2,(H,19,22)(H,20,21)(H,23,24);2*1H2