[2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-butoxy-3-methoxy-benzoate

Systemtic Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-butoxy-3-methoxy-benzoate Openeye Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 4-butoxy-3-methoxy-benzoate CAS Name: 4-butoxy-3-methoxybenzoic acid [2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 4-butoxy-3-methoxybenzoate Traditional Name: 4-butoxy-3-methoxy-benzoic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-ethyl] ester Formula: C24H29NO6 MolecularWeight: 427.49016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C(C)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C(C)C)OC

InChI

InChI=1S/C24H29NO6/c1-5-6-13-30-21-12-9-18(14-22(21)29-4)24(28)31-15-20(26)17-7-10-19(11-8-17)25-23(27)16(2)3/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,25,27)