4-tert-butyl-1-[2-(4-chloranyl-2-methoxy-phenyl)ethanoylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-tert-butyl-1-[2-(4-chloranyl-2-methoxy-phenyl)ethanoylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-tert-butyl-1-[[2-(4-chloro-2-methoxy-phenyl)acetyl]amino]cyclohexanecarboxylic acid CAS Name: 4-tert-butyl-1-[[2-(4-chloro-2-methoxyphenyl)-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-tert-butyl-1-[[2-(4-chloro-2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-tert-butyl-1-[[2-(4-chloro-2-methoxy-phenyl)acetyl]amino]cyclohexanecarboxylic acid Formula: C20H28ClNO4 MolecularWeight: 381.89362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)(C(=O)O)NC(=O)CC2=C(C=C(C=C2)Cl)OC

Isomeric SMILES

CC(C)(C)C1CCC(CC1)(C(=O)O)NC(=O)CC2=C(C=C(C=C2)Cl)OC

InChI

InChI=1S/C20H28ClNO4/c1-19(2,3)14-7-9-20(10-8-14,18(24)25)22-17(23)11-13-5-6-15(21)12-16(13)26-4/h5-6,12,14H,7-11H2,1-4H3,(H,22,23)(H,24,25)