methyl (1S)-4-[(4-aminophenyl)amino]-3-butanoyl-6,6-dimethyl-2-oxidanyl-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: methyl (1S)-4-[(4-aminophenyl)amino]-3-butanoyl-6,6-dimethyl-2-oxidanyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: methyl (1S)-4-(4-aminoanilino)-3-butanoyl-2-hydroxy-6,6-dimethyl-cyclohexa-2,4-diene-1-carboxylate CAS Name: (1S)-4-(4-aminoanilino)-2-hydroxy-6,6-dimethyl-3-(1-oxobutyl)-1-cyclohexa-2,4-dienecarboxylic acid methyl ester IUPAC Name: methyl (1S)-4-(4-aminoanilino)-3-butanoyl-2-hydroxy-6,6-dimethylcyclohexa-2,4-diene-1-carboxylate Traditional Name: (1S)-4-(4-aminoanilino)-3-butyryl-2-hydroxy-6,6-dimethyl-cyclohexa-2,4-diene-1-carboxylic acid methyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(C(C=C1NC2=CC=C(C=C2)N)(C)C)C(=O)OC)O

Isomeric SMILES

CCCC(=O)C1=C([C@H](C(C=C1NC2=CC=C(C=C2)N)(C)C)C(=O)OC)O

InChI

InChI=1S/C20H26N2O4/c1-5-6-15(23)16-14(22-13-9-7-12(21)8-10-13)11-20(2,3)17(18(16)24)19(25)26-4/h7-11,17,22,24H,5-6,21H2,1-4H3/t17-/m0/s1