3-phenylpropyl 4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-(2,4,6-trimethylanilino)butanoate CAS Name: 4-oxo-4-(2,4,6-trimethylanilino)butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-(2,4,6-trimethylanilino)butanoate Traditional Name: 4-keto-4-mesidino-butyric acid 3-phenylpropyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CCC(=O)OCCCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CCC(=O)OCCCC2=CC=CC=C2)C

InChI

InChI=1S/C22H27NO3/c1-16-14-17(2)22(18(3)15-16)23-20(24)11-12-21(25)26-13-7-10-19-8-5-4-6-9-19/h4-6,8-9,14-15H,7,10-13H2,1-3H3,(H,23,24)