5-(4-methoxyphenyl)-2-[(2-methylpropylamino)methylidene]cyclohexane-1,3-dione

Systemtic Name: 5-(4-methoxyphenyl)-2-[(2-methylpropylamino)methylidene]cyclohexane-1,3-dione Openeye Name: 2-[(isobutylamino)methylene]-5-(4-methoxyphenyl)cyclohexane-1,3-dione CAS Name: 5-(4-methoxyphenyl)-2-[(2-methylpropylamino)methylidene]cyclohexane-1,3-dione IUPAC Name: 5-(4-methoxyphenyl)-2-[(2-methylpropylamino)methylidene]cyclohexane-1,3-dione Traditional Name: 2-[(isobutylamino)methylene]-5-(4-methoxyphenyl)cyclohexane-1,3-quinone Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC=C1C(=O)CC(CC1=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CNC=C1C(=O)CC(CC1=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H23NO3/c1-12(2)10-19-11-16-17(20)8-14(9-18(16)21)13-4-6-15(22-3)7-5-13/h4-7,11-12,14,19H,8-10H2,1-3H3