3-methoxy-4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 3-methoxy-4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 4-[2-[[4-(1,1-dimethylpropyl)cyclohexyl]amino]-2-oxo-ethoxy]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethoxy]benzoic acid IUPAC Name: 3-methoxy-4-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethoxy]benzoic acid Traditional Name: 4-[2-[(4-tert-amylcyclohexyl)amino]-2-keto-ethoxy]-3-methoxy-benzoic acid Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=O)COC2=C(C=C(C=C2)C(=O)O)OC

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=O)COC2=C(C=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C21H31NO5/c1-5-21(2,3)15-7-9-16(10-8-15)22-19(23)13-27-17-11-6-14(20(24)25)12-18(17)26-4/h6,11-12,15-16H,5,7-10,13H2,1-4H3,(H,22,23)(H,24,25)