[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl] 4-tert-butylbenzoate

Systemtic Name: [(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxidanylidene-propan-2-yl] 4-tert-butylbenzoate Openeye Name: [(1R)-1-methyl-2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [(1R)-2-keto-1-methyl-2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H31NO3/c1-14-8-6-7-9-18(14)22-19(23)15(2)25-20(24)16-10-12-17(13-11-16)21(3,4)5/h10-15,18H,6-9H2,1-5H3,(H,22,23)/t14-,15+,18+/m0/s1