[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OCC(=O)C2=CC=C(C=C2)CCCNC(=O)C

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OCC(=O)C2=CC=C(C=C2)CCCNC(=O)C

InChI

InChI=1S/C21H23NO5/c1-14-5-3-7-18(20(14)25)21(26)27-13-19(24)17-10-8-16(9-11-17)6-4-12-22-15(2)23/h3,5,7-11,25H,4,6,12-13H2,1-2H3,(H,22,23)