3-phenylpropyl 5-[(3-methylphenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(3-methylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(3-methylanilino)-5-oxo-pentanoate CAS Name: 5-(3-methylanilino)-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(3-methylanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(m-toluidino)valeric acid 3-phenylpropyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3/c1-17-8-5-12-19(16-17)22-20(23)13-6-14-21(24)25-15-7-11-18-9-3-2-4-10-18/h2-5,8-10,12,16H,6-7,11,13-15H2,1H3,(H,22,23)