4-tert-butyl-1-[[2-chloranyl-2-(2-methoxyphenyl)ethanoyl]amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-tert-butyl-1-[[2-chloranyl-2-(2-methoxyphenyl)ethanoyl]amino]cyclohexane-1-carboxylic acid Openeye Name: 4-tert-butyl-1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexanecarboxylic acid CAS Name: 4-tert-butyl-1-[[2-chloro-2-(2-methoxyphenyl)-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-tert-butyl-1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-tert-butyl-1-[[2-chloro-2-(2-methoxyphenyl)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)C(C2=CC=CC=C2OC)Cl

Isomeric SMILES

CC(C)(C)C1CCC(CC1)(C(=O)O)NC(=O)C(C2=CC=CC=C2OC)Cl

InChI

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