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

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C24H28ClNO6 MolecularWeight: 461.93522

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C(=C2)Cl)OCCC)OCC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C(=C2)Cl)OCCC)OCC

InChI

InChI=1S/C24H28ClNO6/c1-4-7-22(28)26-18-10-8-16(9-11-18)20(27)15-32-24(29)17-13-19(25)23(31-12-5-2)21(14-17)30-6-3/h8-11,13-14H,4-7,12,15H2,1-3H3,(H,26,28)