methyl 3-[[4-(cyclohexylmethyl)-4-oxidanyl-piperidin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[4-(cyclohexylmethyl)-4-oxidanyl-piperidin-1-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-(cyclohexylmethyl)-4-hydroxy-piperidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[4-(cyclohexylmethyl)-4-hydroxy-1-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(cyclohexylmethyl)-4-hydroxypiperidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[4-(cyclohexylmethyl)-4-hydroxy-piperidine-1-carbonyl]amino]benzoic acid methyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCC(CC2)(CC3CCCCC3)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCC(CC2)(CC3CCCCC3)O

InChI

InChI=1S/C21H30N2O4/c1-27-19(24)17-8-5-9-18(14-17)22-20(25)23-12-10-21(26,11-13-23)15-16-6-3-2-4-7-16/h5,8-9,14,16,26H,2-4,6-7,10-13,15H2,1H3,(H,22,25)