[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C24H28N2O3 MolecularWeight: 392.49072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=CC(=C2)C#N)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=CC(=C2)C#N)C(C)(C)C

InChI

InChI=1S/C24H28N2O3/c1-23(2,3)18-11-17(12-19(13-18)24(4,5)6)22(28)29-15-21(27)26-20-9-7-8-16(10-20)14-25/h7-13H,15H2,1-6H3,(H,26,27)