methyl 5-[4-(2-acetamidoethyl)phenyl]pentanoate

Systemtic Name: methyl 5-[4-(2-acetamidoethyl)phenyl]pentanoate Openeye Name: methyl 5-[4-(2-acetamidoethyl)phenyl]pentanoate CAS Name: 5-[4-(2-acetamidoethyl)phenyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[4-(2-acetamidoethyl)phenyl]pentanoate Traditional Name: 5-[4-(2-acetamidoethyl)phenyl]valeric acid methyl ester Formula: C16H23NO3 MolecularWeight: 277.35872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)CCCCC(=O)OC

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)CCCCC(=O)OC

InChI

InChI=1S/C16H23NO3/c1-13(18)17-12-11-15-9-7-14(8-10-15)5-3-4-6-16(19)20-2/h7-10H,3-6,11-12H2,1-2H3,(H,17,18)