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

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)methoxy]benzoate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] 2-(m-tolylmethoxy)benzoate CAS Name: 2-[(3-methylphenyl)methoxy]benzoic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate Traditional Name: 2-(3-methylbenzyl)oxybenzoic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C27H27NO5 MolecularWeight: 445.50698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2OCC3=CC=CC(=C3)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2OCC3=CC=CC(=C3)C

InChI

InChI=1S/C27H27NO5/c1-3-7-26(30)28-22-14-12-21(13-15-22)24(29)18-33-27(31)23-10-4-5-11-25(23)32-17-20-9-6-8-19(2)16-20/h4-6,8-16H,3,7,17-18H2,1-2H3,(H,28,30)