4-[[1-[(4-carboxyphenyl)amino]-3-ethoxy-1-oxidanylidene-butan-2-yl]amino]benzoic acid

Systemtic Name: 4-[[1-[(4-carboxyphenyl)amino]-3-ethoxy-1-oxidanylidene-butan-2-yl]amino]benzoic acid Openeye Name: 4-[[1-[(4-carboxyphenyl)carbamoyl]-2-ethoxy-propyl]amino]benzoic acid CAS Name: 4-[[1-(4-carboxyanilino)-3-ethoxy-1-oxobutan-2-yl]amino]benzoic acid IUPAC Name: 4-[[1-(4-carboxyanilino)-3-ethoxy-1-oxobutan-2-yl]amino]benzoic acid Traditional Name: 4-[[1-[(4-carboxyphenyl)carbamoyl]-2-ethoxy-propyl]amino]benzoic acid Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCOC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H22N2O6/c1-3-28-12(2)17(21-15-8-4-13(5-9-15)19(24)25)18(23)22-16-10-6-14(7-11-16)20(26)27/h4-12,17,21H,3H2,1-2H3,(H,22,23)(H,24,25)(H,26,27)