2-[2-(decylamino)phenyl]carbonyl-3-oxidanylidene-butanoate

Systemtic Name: 2-[2-(decylamino)phenyl]carbonyl-3-oxidanylidene-butanoate Openeye Name: 2-[2-(decylamino)benzoyl]-3-oxo-butanoate CAS Name: 2-[[2-(decylamino)phenyl]-oxomethyl]-3-oxobutanoate IUPAC Name: 2-[2-(decylamino)benzoyl]-3-oxobutanoate Traditional Name: 2-[2-(decylamino)benzoyl]-3-keto-butyrate Formula: C21H30NO4- MolecularWeight: 360.4672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC1=CC=CC=C1C(=O)C(C(=O)C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCNC1=CC=CC=C1C(=O)C(C(=O)C)C(=O)[O-]

InChI

InChI=1S/C21H31NO4/c1-3-4-5-6-7-8-9-12-15-22-18-14-11-10-13-17(18)20(24)19(16(2)23)21(25)26/h10-11,13-14,19,22H,3-9,12,15H2,1-2H3,(H,25,26)/p-1