[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-ethyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [2-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [2-keto-2-[4-(pivaloylamino)phenyl]ethyl] ester Formula: C25H30ClNO6 MolecularWeight: 475.9618

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C(C)(C)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C(C)(C)C)OCC

InChI

InChI=1S/C25H30ClNO6/c1-6-12-32-22-19(26)13-17(14-21(22)31-7-2)23(29)33-15-20(28)16-8-10-18(11-9-16)27-24(30)25(3,4)5/h8-11,13-14H,6-7,12,15H2,1-5H3,(H,27,30)