[(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-tert-butylcyclohexane-1-carboxylate Openeye Name: [(1R)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid [(1R)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2CCC(CC2)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2CCC(CC2)C(C)(C)C

InChI

InChI=1S/C22H31NO4/c1-14(24)17-7-6-8-19(13-17)23-20(25)15(2)27-21(26)16-9-11-18(12-10-16)22(3,4)5/h6-8,13,15-16,18H,9-12H2,1-5H3,(H,23,25)/t15-,16?,18?/m1/s1