phenyl 4-(butylamino)-3-methyl-2-methylidene-4-oxidanylidene-butanoate

Systemtic Name: phenyl 4-(butylamino)-3-methyl-2-methylidene-4-oxidanylidene-butanoate Openeye Name: phenyl 4-(butylamino)-3-methyl-2-methylene-4-oxo-butanoate CAS Name: 4-(butylamino)-3-methyl-2-methylene-4-oxobutanoic acid phenyl ester IUPAC Name: phenyl 4-(butylamino)-3-methyl-2-methylidene-4-oxobutanoate Traditional Name: 2-[2-(butylamino)-2-keto-1-methyl-ethyl]acrylic acid phenyl ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)C(=C)C(=O)OC1=CC=CC=C1

Isomeric SMILES

CCCCNC(=O)C(C)C(=C)C(=O)OC1=CC=CC=C1

InChI

InChI=1S/C16H21NO3/c1-4-5-11-17-15(18)12(2)13(3)16(19)20-14-9-7-6-8-10-14/h6-10,12H,3-5,11H2,1-2H3,(H,17,18)