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

Systemtic Name: [2-[(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-[(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2-oxo-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] ester IUPAC Name: [2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-[(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexoxy]-2-keto-ethyl] ester Formula: C20H28ClNO5 MolecularWeight: 397.89302

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)COC(=O)C2=CC(=C(C=C2OC)N)Cl)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@@H]([C@H](C1)OC(=O)COC(=O)C2=CC(=C(C=C2OC)N)Cl)C(C)C

InChI

InChI=1S/C20H28ClNO5/c1-11(2)13-6-5-12(3)7-18(13)27-19(23)10-26-20(24)14-8-15(21)16(22)9-17(14)25-4/h8-9,11-13,18H,5-7,10,22H2,1-4H3/t12-,13-,18+/m1/s1