[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C25H31NO6 MolecularWeight: 441.51674

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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)OCCC(C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO6/c1-5-6-24(28)26-20-10-7-18(8-11-20)21(27)16-32-25(29)19-9-12-22(23(15-19)30-4)31-14-13-17(2)3/h7-12,15,17H,5-6,13-14,16H2,1-4H3,(H,26,28)