methyl 5-[1,5-dimethyl-6,6-bis(oxidanyl)-3-phenylazanyl-cyclohexa-2,4-dien-1-yl]-5-methyl-hexanoate

Systemtic Name: methyl 5-[1,5-dimethyl-6,6-bis(oxidanyl)-3-phenylazanyl-cyclohexa-2,4-dien-1-yl]-5-methyl-hexanoate Openeye Name: methyl 5-(3-anilino-6,6-dihydroxy-1,5-dimethyl-cyclohexa-2,4-dien-1-yl)-5-methyl-hexanoate CAS Name: 5-(3-anilino-6,6-dihydroxy-1,5-dimethyl-1-cyclohexa-2,4-dienyl)-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-(3-anilino-6,6-dihydroxy-1,5-dimethylcyclohexa-2,4-dien-1-yl)-5-methylhexanoate Traditional Name: 5-(3-anilino-6,6-dihydroxy-1,5-dimethyl-cyclohexa-2,4-dien-1-yl)-5-methyl-hexanoic acid methyl ester Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO4/c1-16-14-18(23-17-10-7-6-8-11-17)15-21(4,22(16,25)26)20(2,3)13-9-12-19(24)27-5/h6-8,10-11,14-15,23,25-26H,9,12-13H2,1-5H3