4-[[4-(2,5-dimethylphenoxy)phenyl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-(2,5-dimethylphenoxy)phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-(2,5-dimethylphenoxy)phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[4-(2,5-dimethylphenoxy)phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[4-(2,5-dimethylphenoxy)phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[4-(2,5-dimethylphenoxy)benzyl]amino]-4-keto-butyrate Formula: C19H20NO4- MolecularWeight: 326.3664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=CC=C(C=C2)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=CC=C(C=C2)CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C19H21NO4/c1-13-3-4-14(2)17(11-13)24-16-7-5-15(6-8-16)12-20-18(21)9-10-19(22)23/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)(H,22,23)/p-1