5-chloranyl-2-[2-[2-(dicyclohexylamino)-2-oxidanylidene-ethoxy]ethanoylamino]benzoic acid

Systemtic Name: 5-chloranyl-2-[2-[2-(dicyclohexylamino)-2-oxidanylidene-ethoxy]ethanoylamino]benzoic acid Openeye Name: 5-chloro-2-[[2-[2-(dicyclohexylamino)-2-oxo-ethoxy]acetyl]amino]benzoic acid CAS Name: 5-chloro-2-[[2-[2-(dicyclohexylamino)-2-oxoethoxy]-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[2-[2-(dicyclohexylamino)-2-oxoethoxy]acetyl]amino]benzoic acid Traditional Name: 5-chloro-2-[[2-[2-(dicyclohexylamino)-2-keto-ethoxy]acetyl]amino]benzoic acid Formula: C23H31ClN2O5 MolecularWeight: 450.95564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)COCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)COCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C23H31ClN2O5/c24-16-11-12-20(19(13-16)23(29)30)25-21(27)14-31-15-22(28)26(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-13,17-18H,1-10,14-15H2,(H,25,27)(H,29,30)