4-heptan-2-yloxy-3-[(4-methoxyphenyl)amino]-2-methyl-cyclohex-2-en-1-one

Systemtic Name: 4-heptan-2-yloxy-3-[(4-methoxyphenyl)amino]-2-methyl-cyclohex-2-en-1-one Openeye Name: 3-(4-methoxyanilino)-2-methyl-4-(1-methylhexoxy)cyclohex-2-en-1-one CAS Name: 4-heptan-2-yloxy-3-(4-methoxyanilino)-2-methyl-1-cyclohex-2-enone IUPAC Name: 4-heptan-2-yloxy-3-(4-methoxyanilino)-2-methylcyclohex-2-en-1-one Traditional Name: 2-methyl-4-(1-methylhexoxy)-3-(p-anisidino)cyclohex-2-en-1-one Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC1CCC(=O)C(=C1NC2=CC=C(C=C2)OC)C

Isomeric SMILES

CCCCCC(C)OC1CCC(=O)C(=C1NC2=CC=C(C=C2)OC)C

InChI

InChI=1S/C21H31NO3/c1-5-6-7-8-15(2)25-20-14-13-19(23)16(3)21(20)22-17-9-11-18(24-4)12-10-17/h9-12,15,20,22H,5-8,13-14H2,1-4H3