[(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(4-chloranylbutanoylamino)benzoate

Systemtic Name: [(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(4-chloranylbutanoylamino)benzoate Openeye Name: [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-(4-chlorobutanoylamino)benzoate CAS Name: 2-[(4-chloro-1-oxobutyl)amino]benzoic acid [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(4-chlorobutanoylamino)benzoate Traditional Name: 2-(4-chlorobutanoylamino)benzoic acid [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H30ClNO3 MolecularWeight: 379.9208

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC=CC=C2NC(=O)CCCCl)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC=CC=C2NC(=O)CCCCl)C(C)C

InChI

InChI=1S/C21H30ClNO3/c1-14(2)16-11-10-15(3)13-19(16)26-21(25)17-7-4-5-8-18(17)23-20(24)9-6-12-22/h4-5,7-8,14-16,19H,6,9-13H2,1-3H3,(H,23,24)/t15-,16-,19+/m0/s1