methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-(phenylmethyl)amino]cyclohexene-1-carboxylate

Systemtic Name: methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-(phenylmethyl)amino]cyclohexene-1-carboxylate Openeye Name: methyl 4-[benzyl-(2-tert-butoxy-2-oxo-ethyl)amino]cyclohexene-1-carboxylate CAS Name: 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(phenylmethyl)amino]-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 4-[benzyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexene-1-carboxylate Traditional Name: 4-[benzyl-(2-tert-butoxy-2-keto-ethyl)amino]cyclohexene-1-carboxylic acid methyl ester Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(CC1=CC=CC=C1)C2CCC(=CC2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)CN(CC1=CC=CC=C1)C2CCC(=CC2)C(=O)OC

InChI

InChI=1S/C21H29NO4/c1-21(2,3)26-19(23)15-22(14-16-8-6-5-7-9-16)18-12-10-17(11-13-18)20(24)25-4/h5-10,18H,11-15H2,1-4H3