[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 4-propan-2-ylbenzoate

Systemtic Name: [(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 4-propan-2-ylbenzoate Openeye Name: [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [(2R)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)OC(C)C(=O)NCCC2=CCCCC2

Isomeric SMILES

C[C@H](C(=O)NCCC1=CCCCC1)OC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H29NO3/c1-15(2)18-9-11-19(12-10-18)21(24)25-16(3)20(23)22-14-13-17-7-5-4-6-8-17/h7,9-12,15-16H,4-6,8,13-14H2,1-3H3,(H,22,23)/t16-/m1/s1