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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)NCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO3/c1-14(2)9-8-10-15(3)18-21(25)19(16(4)20(24)22(18)26)23-13-17-11-6-5-7-12-17/h5-7,9,11-12,15,23,25H,8,10,13H2,1-4H3