3-phenylpropyl 4-[(2-cyanophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(2-cyanophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(2-cyanoanilino)-4-oxo-butanoate CAS Name: 4-(2-cyanoanilino)-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(2-cyanoanilino)-4-oxobutanoate Traditional Name: 4-(2-cyanoanilino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C20H20N2O3/c21-15-17-10-4-5-11-18(17)22-19(23)12-13-20(24)25-14-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11H,6,9,12-14H2,(H,22,23)