[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3-oxidanylidene-3-phenylazanyl-propanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3-oxidanylidene-3-phenylazanyl-propanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 3-anilino-3-oxo-propanoate CAS Name: 3-anilino-3-oxopropanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-anilino-3-oxopropanoate Traditional Name: 3-anilino-3-keto-propionic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C19H27NO3 MolecularWeight: 317.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CC(=O)NC2=CC=CC=C2)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CC(=O)NC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C19H27NO3/c1-13(2)16-10-9-14(3)11-17(16)23-19(22)12-18(21)20-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3,(H,20,21)/t14-,16+,17-/m1/s1