4-[(2-methyl-4-propoxy-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2-methyl-4-propoxy-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-(2-methyl-4-propoxy-anilino)-4-oxo-butanoate CAS Name: 4-(2-methyl-4-propoxyanilino)-4-oxobutanoate IUPAC Name: 4-(2-methyl-4-propoxyanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(2-methyl-4-propoxy-anilino)butyrate Formula: C14H18NO4- MolecularWeight: 264.29702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)NC(=O)CCC(=O)[O-])C

Isomeric SMILES

CCCOC1=CC(=C(C=C1)NC(=O)CCC(=O)[O-])C

InChI

InChI=1S/C14H19NO4/c1-3-8-19-11-4-5-12(10(2)9-11)15-13(16)6-7-14(17)18/h4-5,9H,3,6-8H2,1-2H3,(H,15,16)(H,17,18)/p-1