octyl 2-[(2-ethanoyl-3-oxidanylidene-but-1-enyl)amino]benzoate

Systemtic Name: octyl 2-[(2-ethanoyl-3-oxidanylidene-but-1-enyl)amino]benzoate Openeye Name: octyl 2-[(2-acetyl-3-oxo-but-1-enyl)amino]benzoate CAS Name: 2-[(2-acetyl-3-oxobut-1-enyl)amino]benzoic acid octyl ester IUPAC Name: octyl 2-[(2-acetyl-3-oxobut-1-enyl)amino]benzoate Traditional Name: 2-[(2-acetyl-3-keto-but-1-enyl)amino]benzoic acid octyl ester Formula: C21H29NO4 MolecularWeight: 359.45926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=CC=C1NC=C(C(=O)C)C(=O)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=CC=C1NC=C(C(=O)C)C(=O)C

InChI

InChI=1S/C21H29NO4/c1-4-5-6-7-8-11-14-26-21(25)18-12-9-10-13-20(18)22-15-19(16(2)23)17(3)24/h9-10,12-13,15,22H,4-8,11,14H2,1-3H3