3-methyl-6-(6-methylhept-5-en-2-yl)-4-[(4-methylphenyl)amino]-5-oxidanyl-cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 3-methyl-6-(6-methylhept-5-en-2-yl)-4-[(4-methylphenyl)amino]-5-oxidanyl-cyclohexa-3,5-diene-1,2-dione Openeye Name: 3-(1,5-dimethylhex-4-enyl)-4-hydroxy-6-methyl-5-(4-methylanilino)-1,2-benzoquinone CAS Name: 5-hydroxy-3-methyl-4-(4-methylanilino)-6-(6-methylhept-5-en-2-yl)cyclohexa-3,5-diene-1,2-dione IUPAC Name: 5-hydroxy-3-methyl-4-(4-methylanilino)-6-(6-methylhept-5-en-2-yl)cyclohexa-3,5-diene-1,2-dione Traditional Name: 3-(1,5-dimethylhex-4-enyl)-4-hydroxy-6-methyl-5-(p-toluidino)-o-benzoquinone Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=O)C(=O)C(=C2O)C(C)CCC=C(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=O)C(=O)C(=C2O)C(C)CCC=C(C)C)C

InChI

InChI=1S/C22H27NO3/c1-13(2)7-6-8-15(4)18-21(25)19(16(5)20(24)22(18)26)23-17-11-9-14(3)10-12-17/h7,9-12,15,23,25H,6,8H2,1-5H3