[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 4-butylbenzoate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 4-butylbenzoate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OCCC(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OCCC(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C21H22N2O3/c1-2-3-6-16-9-11-17(12-10-16)21(25)26-14-13-20(24)23-19-8-5-4-7-18(19)15-22/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,23,24)