[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-methylbenzoate

Systemtic Name: [2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-methylbenzoate Openeye Name: [2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-keto-ethyl] ester Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H25NO3/c1-12-7-9-15(10-8-12)18(21)22-11-17(20)19-16-6-4-5-13(2)14(16)3/h7-10,13-14,16H,4-6,11H2,1-3H3,(H,19,20)/t13-,14+,16+/m1/s1