methyl 4-[2,6-bis(oxidanylidene)cyclohexylidene]-4-[(4-methylphenyl)amino]butanoate

Systemtic Name: methyl 4-[2,6-bis(oxidanylidene)cyclohexylidene]-4-[(4-methylphenyl)amino]butanoate Openeye Name: methyl 4-(2,6-dioxocyclohexylidene)-4-(4-methylanilino)butanoate CAS Name: 4-(2,6-dioxocyclohexylidene)-4-(4-methylanilino)butanoic acid methyl ester IUPAC Name: methyl 4-(2,6-dioxocyclohexylidene)-4-(4-methylanilino)butanoate Traditional Name: 4-(2,6-diketocyclohexylidene)-4-(p-toluidino)butyric acid methyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=C2C(=O)CCCC2=O)CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=C2C(=O)CCCC2=O)CCC(=O)OC

InChI

InChI=1S/C18H21NO4/c1-12-6-8-13(9-7-12)19-14(10-11-17(22)23-2)18-15(20)4-3-5-16(18)21/h6-9,19H,3-5,10-11H2,1-2H3