4-[2-(2-acetamidoethyl)phenyl]-6-pyridin-3-yl-hexanoic acid

Systemtic Name: 4-[2-(2-acetamidoethyl)phenyl]-6-pyridin-3-yl-hexanoic acid Openeye Name: 4-[2-(2-acetamidoethyl)phenyl]-6-(3-pyridyl)hexanoic acid CAS Name: 4-[2-(2-acetamidoethyl)phenyl]-6-(3-pyridinyl)hexanoic acid IUPAC Name: 4-[2-(2-acetamidoethyl)phenyl]-6-pyridin-3-ylhexanoic acid Traditional Name: 4-[2-(2-acetamidoethyl)phenyl]-6-(3-pyridyl)hexanoic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=CC=C1C(CCC2=CN=CC=C2)CCC(=O)O

Isomeric SMILES

CC(=O)NCCC1=CC=CC=C1C(CCC2=CN=CC=C2)CCC(=O)O

InChI

InChI=1S/C21H26N2O3/c1-16(24)23-14-12-18-6-2-3-7-20(18)19(10-11-21(25)26)9-8-17-5-4-13-22-15-17/h2-7,13,15,19H,8-12,14H2,1H3,(H,23,24)(H,25,26)