[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-amino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-amino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: [2-[[5-(4-chlorophenyl)-2-furyl]methyl-methyl-amino]-2-oxo-ethyl] (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid [2-[[5-(4-chlorophenyl)-2-furanyl]methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid [2-[[5-(4-chlorophenyl)-2-furyl]methyl-methyl-amino]-2-keto-ethyl] ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(O1)C2=CC=C(C=C2)Cl)C(=O)COC(=O)C3CCC=CC3

Isomeric SMILES

CN(CC1=CC=C(O1)C2=CC=C(C=C2)Cl)C(=O)COC(=O)[C@H]3CCC=CC3

InChI

InChI=1S/C21H22ClNO4/c1-23(20(24)14-26-21(25)16-5-3-2-4-6-16)13-18-11-12-19(27-18)15-7-9-17(22)10-8-15/h2-3,7-12,16H,4-6,13-14H2,1H3/t16-/m1/s1