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

Systemtic Name: [2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-methoxybenzoate Openeye Name: [2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-keto-ethyl] ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4/c1-12-5-4-6-16(13(12)2)19-17(20)11-23-18(21)14-7-9-15(22-3)10-8-14/h7-10,12-13,16H,4-6,11H2,1-3H3,(H,19,20)/t12-,13+,16+/m0/s1