methyl (1R)-2,2-dimethyl-4,6-bis(oxidanylidene)-5-(N-phenethyl-C-propyl-carbonimidoyl)cyclohexane-1-carboxylate

Systemtic Name: methyl (1R)-2,2-dimethyl-4,6-bis(oxidanylidene)-5-(N-phenethyl-C-propyl-carbonimidoyl)cyclohexane-1-carboxylate Openeye Name: methyl (1R)-2,2-dimethyl-4,6-dioxo-5-(N-phenethyl-C-propyl-carbonimidoyl)cyclohexanecarboxylate CAS Name: (1R)-2,2-dimethyl-4,6-dioxo-5-(1-phenethyliminobutyl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R)-2,2-dimethyl-4,6-dioxo-5-(N-phenethyl-C-propylcarbonimidoyl)cyclohexane-1-carboxylate Traditional Name: (1R)-4,6-diketo-2,2-dimethyl-5-(N-phenethyl-C-propyl-carbonimidoyl)cyclohexanecarboxylic acid methyl ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NCCC1=CC=CC=C1)C2C(=O)CC(C(C2=O)C(=O)OC)(C)C

Isomeric SMILES

CCCC(=NCCC1=CC=CC=C1)C2C(=O)CC([C@H](C2=O)C(=O)OC)(C)C

InChI

InChI=1S/C22H29NO4/c1-5-9-16(23-13-12-15-10-7-6-8-11-15)18-17(24)14-22(2,3)19(20(18)25)21(26)27-4/h6-8,10-11,18-19H,5,9,12-14H2,1-4H3/t18?,19-/m1/s1