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

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-methoxybenzoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5/c1-14(2)11-20(24)22-17-9-7-15(8-10-17)19(23)13-27-21(25)16-5-4-6-18(12-16)26-3/h4-10,12,14H,11,13H2,1-3H3,(H,22,24)