3-phenylpropyl 5-[(4-cyanophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(4-cyanophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(4-cyanoanilino)-5-oxo-pentanoate CAS Name: 5-(4-cyanoanilino)-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(4-cyanoanilino)-5-oxopentanoate Traditional Name: 5-(4-cyanoanilino)-5-keto-valeric acid 3-phenylpropyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H22N2O3/c22-16-18-11-13-19(14-12-18)23-20(24)9-4-10-21(25)26-15-5-8-17-6-2-1-3-7-17/h1-3,6-7,11-14H,4-5,8-10,15H2,(H,23,24)