[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-(2-methylpropoxy)benzoate

Systemtic Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-(2-methylpropoxy)benzoate Openeye Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic acid [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic acid [2-keto-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=CC=C(C=C2)OCC(C)C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC=C(C=C2)OCC(C)C

InChI

InChI=1S/C20H29NO4/c1-14(2)12-24-17-10-8-16(9-11-17)20(23)25-13-19(22)21-18-7-5-4-6-15(18)3/h8-11,14-15,18H,4-7,12-13H2,1-3H3,(H,21,22)/t15-,18-/m0/s1