[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-ethoxybenzoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-ethoxybenzoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

InChI

InChI=1S/C22H25NO5/c1-4-27-19-11-7-17(8-12-19)22(26)28-14-20(24)16-5-9-18(10-6-16)23-21(25)13-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,23,25)