[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate

Systemtic Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-keto-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(=O)NC1CCCCC1C)OC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C(=O)OCC(=O)N[C@H]1CCCC[C@@H]1C)OC2=CC=CC=C2

InChI

InChI=1S/C19H27NO4/c1-3-17(24-15-10-5-4-6-11-15)19(22)23-13-18(21)20-16-12-8-7-9-14(16)2/h4-6,10-11,14,16-17H,3,7-9,12-13H2,1-2H3,(H,20,21)/t14-,16-,17+/m0/s1