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

Systemtic Name: [2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-phenoxybutanoate Openeye Name: [2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-keto-ethyl] ester Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)CCCOC2=CC=CC=C2

InChI

InChI=1S/C20H29NO4/c1-15-8-6-11-18(16(15)2)21-19(22)14-25-20(23)12-7-13-24-17-9-4-3-5-10-17/h3-5,9-10,15-16,18H,6-8,11-14H2,1-2H3,(H,21,22)/t15-,16+,18-/m0/s1