[2-[(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-[(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] ester IUPAC Name: [2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-[(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexoxy]-2-keto-ethyl] ester Formula: C19H26ClNO4 MolecularWeight: 367.86704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H]([C@@H](C1)OC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N)C(C)C

InChI

InChI=1S/C19H26ClNO4/c1-11(2)14-6-4-12(3)8-17(14)25-18(22)10-24-19(23)13-5-7-15(20)16(21)9-13/h5,7,9,11-12,14,17H,4,6,8,10,21H2,1-3H3/t12-,14-,17+/m0/s1