methyl 4-[[(1R,2S)-5,5-dimethyl-2-prop-1-en-2-yl-cyclohexyl]amino]benzoate

Systemtic Name: methyl 4-[[(1R,2S)-5,5-dimethyl-2-prop-1-en-2-yl-cyclohexyl]amino]benzoate Openeye Name: methyl 4-[[(1R,2S)-2-isopropenyl-5,5-dimethyl-cyclohexyl]amino]benzoate CAS Name: 4-[[(1R,2S)-5,5-dimethyl-2-(1-methylethenyl)cyclohexyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1R,2S)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexyl]amino]benzoate Traditional Name: 4-[[(1R,2S)-2-isopropenyl-5,5-dimethyl-cyclohexyl]amino]benzoic acid methyl ester Formula: C19H27NO2 MolecularWeight: 301.42318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(CC1NC2=CC=C(C=C2)C(=O)OC)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO2/c1-13(2)16-10-11-19(3,4)12-17(16)20-15-8-6-14(7-9-15)18(21)22-5/h6-9,16-17,20H,1,10-12H2,2-5H3/t16-,17+/m0/s1