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

Systemtic Name: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 4-(hydroxymethyl)benzoate Openeye Name: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid [2-keto-2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4/c1-12-4-2-3-5-15(12)18-16(20)11-22-17(21)14-8-6-13(10-19)7-9-14/h6-9,12,15,19H,2-5,10-11H2,1H3,(H,18,20)/t12-,15+/m0/s1