(3,4-dimethylcyclohexyl) 4-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (3,4-dimethylcyclohexyl) 4-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-4-oxidanylidene-butanoate Openeye Name: (3,4-dimethylcyclohexyl) 4-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-4-oxo-butanoate CAS Name: 4-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-4-oxobutanoic acid (3,4-dimethylcyclohexyl) ester IUPAC Name: (3,4-dimethylcyclohexyl) 4-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-4-oxobutanoate Traditional Name: 4-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-4-keto-butyric acid (3,4-dimethylcyclohexyl) ester Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1C)OC(=O)CCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

Isomeric SMILES

CC1CCC(CC1C)OC(=O)CCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

InChI

InChI=1S/C21H27NO6/c1-12-4-5-15(8-13(12)2)28-21(25)7-6-20(24)22-17-10-19-18(26-11-27-19)9-16(17)14(3)23/h9-10,12-13,15H,4-8,11H2,1-3H3,(H,22,24)