methyl (1R)-4-[(2-aminophenyl)amino]-3-butanoyl-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1R)-4-[(2-aminophenyl)amino]-3-butanoyl-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1R)-4-(2-aminoanilino)-3-butanoyl-6,6-dimethyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1R)-4-(2-aminoanilino)-6,6-dimethyl-2-oxo-3-(1-oxobutyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1R)-4-(2-aminoanilino)-3-butanoyl-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1R)-4-(2-aminoanilino)-3-butyryl-2-keto-6,6-dimethyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=CC=CC=C2N

Isomeric SMILES

CCCC(=O)C1=C(CC([C@H](C1=O)C(=O)OC)(C)C)NC2=CC=CC=C2N

InChI

InChI=1S/C20H26N2O4/c1-5-8-15(23)16-14(22-13-10-7-6-9-12(13)21)11-20(2,3)17(18(16)24)19(25)26-4/h6-7,9-10,17,22H,5,8,11,21H2,1-4H3/t17-/m1/s1