5-chloranyl-2-[2-[2-[(3-cyclohexylphenyl)amino]-2-oxidanylidene-ethoxy]ethanoylamino]benzoic acid

Systemtic Name: 5-chloranyl-2-[2-[2-[(3-cyclohexylphenyl)amino]-2-oxidanylidene-ethoxy]ethanoylamino]benzoic acid Openeye Name: 5-chloro-2-[[2-[2-(3-cyclohexylanilino)-2-oxo-ethoxy]acetyl]amino]benzoic acid CAS Name: 5-chloro-2-[[2-[2-(3-cyclohexylanilino)-2-oxoethoxy]-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[2-[2-(3-cyclohexylanilino)-2-oxoethoxy]acetyl]amino]benzoic acid Traditional Name: 5-chloro-2-[[2-[2-(3-cyclohexylanilino)-2-keto-ethoxy]acetyl]amino]benzoic acid Formula: C23H25ClN2O5 MolecularWeight: 444.908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC(=CC=C2)NC(=O)COCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC(=CC=C2)NC(=O)COCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C23H25ClN2O5/c24-17-9-10-20(19(12-17)23(29)30)26-22(28)14-31-13-21(27)25-18-8-4-7-16(11-18)15-5-2-1-3-6-15/h4,7-12,15H,1-3,5-6,13-14H2,(H,25,27)(H,26,28)(H,29,30)