4-[(2-ethylphenyl)amino]-4-oxidanylidene-2,3-bis(phenylcarbonyloxy)butanoate

Systemtic Name: 4-[(2-ethylphenyl)amino]-4-oxidanylidene-2,3-bis(phenylcarbonyloxy)butanoate Openeye Name: 2,3-dibenzoyloxy-4-(2-ethylanilino)-4-oxo-butanoate CAS Name: 2,3-dibenzoyloxy-4-(2-ethylanilino)-4-oxobutanoate IUPAC Name: 2,3-dibenzoyloxy-4-(2-ethylanilino)-4-oxobutanoate Traditional Name: 2,3-dibenzoyloxy-4-(2-ethylanilino)-4-keto-butyrate Formula: C26H22NO7- MolecularWeight: 460.45538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C(C(C(=O)[O-])OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C(C(C(=O)[O-])OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H23NO7/c1-2-17-11-9-10-16-20(17)27-23(28)21(33-25(31)18-12-5-3-6-13-18)22(24(29)30)34-26(32)19-14-7-4-8-15-19/h3-16,21-22H,2H2,1H3,(H,27,28)(H,29,30)/p-1