[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 4-tert-butylcyclohexane-1-carboxylate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2CCC(CC2)C(C)(C)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2CCC(CC2)C(C)(C)C

InChI

InChI=1S/C22H31NO4/c1-5-20(25)23-18-12-8-15(9-13-18)19(24)14-27-21(26)16-6-10-17(11-7-16)22(2,3)4/h8-9,12-13,16-17H,5-7,10-11,14H2,1-4H3,(H,23,25)