3-phenylpropyl 5-[(2,6-dimethylphenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(2,6-dimethylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(2,6-dimethylanilino)-5-oxo-pentanoate CAS Name: 5-(2,6-dimethylanilino)-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(2,6-dimethylanilino)-5-oxopentanoate Traditional Name: 5-(2,6-dimethylanilino)-5-keto-valeric acid 3-phenylpropyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO3/c1-17-9-6-10-18(2)22(17)23-20(24)14-7-15-21(25)26-16-8-13-19-11-4-3-5-12-19/h3-6,9-12H,7-8,13-16H2,1-2H3,(H,23,24)