3-oxidanylidenebutyl 4-azanyl-5-cyano-6-(4-ethylphenyl)-2-methyl-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: 3-oxidanylidenebutyl 4-azanyl-5-cyano-6-(4-ethylphenyl)-2-methyl-cyclohexa-1,4-diene-1-carboxylate Openeye Name: 3-oxobutyl 4-amino-5-cyano-6-(4-ethylphenyl)-2-methyl-cyclohexa-1,4-diene-1-carboxylate CAS Name: 4-amino-5-cyano-6-(4-ethylphenyl)-2-methyl-1-cyclohexa-1,4-dienecarboxylic acid 3-oxobutyl ester IUPAC Name: 3-oxobutyl 4-amino-5-cyano-6-(4-ethylphenyl)-2-methylcyclohexa-1,4-diene-1-carboxylate Traditional Name: 4-amino-5-cyano-6-(4-ethylphenyl)-2-methyl-cyclohexa-1,4-diene-1-carboxylic acid 3-ketobutyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(CC(=C2C(=O)OCCC(=O)C)C)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(=C(CC(=C2C(=O)OCCC(=O)C)C)N)C#N

InChI

InChI=1S/C21H24N2O3/c1-4-15-5-7-16(8-6-15)20-17(12-22)18(23)11-13(2)19(20)21(25)26-10-9-14(3)24/h5-8,20H,4,9-11,23H2,1-3H3