methyl (1S)-3-[(E)-1-[(4-aminophenyl)amino]pent-1-enyl]-6,6-dimethyl-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl (1S)-3-[(E)-1-[(4-aminophenyl)amino]pent-1-enyl]-6,6-dimethyl-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: methyl (1S)-3-[(E)-1-(4-aminoanilino)pent-1-enyl]-2-hydroxy-6,6-dimethyl-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: (1S)-3-[(E)-1-(4-aminoanilino)pent-1-enyl]-2-hydroxy-6,6-dimethyl-4-oxo-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1S)-3-[(E)-1-(4-aminoanilino)pent-1-enyl]-2-hydroxy-6,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: (1S)-3-[(E)-1-(4-aminoanilino)pent-1-enyl]-2-hydroxy-4-keto-6,6-dimethyl-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C(C1=C(C(C(CC1=O)(C)C)C(=O)OC)O)NC2=CC=C(C=C2)N

Isomeric SMILES

CCC/C=C(\C1=C([C@H](C(CC1=O)(C)C)C(=O)OC)O)/NC2=CC=C(C=C2)N

InChI

InChI=1S/C21H28N2O4/c1-5-6-7-15(23-14-10-8-13(22)9-11-14)17-16(24)12-21(2,3)18(19(17)25)20(26)27-4/h7-11,18,23,25H,5-6,12,22H2,1-4H3/b15-7+/t18-/m0/s1