2-[carboxy-[2-[4-(pyridin-4-ylmethoxy)phenyl]ethyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[carboxy-[2-[4-(pyridin-4-ylmethoxy)phenyl]ethyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[carboxy-[2-[4-(4-pyridylmethoxy)phenyl]ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[carboxy-[2-[4-(pyridin-4-ylmethoxy)phenyl]ethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[carboxy-[2-[4-(pyridin-4-ylmethoxy)phenyl]ethyl]amino]-4-methylpentanoic acid Traditional Name: 2-[carboxy-[2-[4-(4-pyridylmethoxy)phenyl]ethyl]amino]-4-methyl-valeric acid Formula: C21H26N2O5 MolecularWeight: 386.44154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CCC1=CC=C(C=C1)OCC2=CC=NC=C2)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCC1=CC=C(C=C1)OCC2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C21H26N2O5/c1-15(2)13-19(20(24)25)23(21(26)27)12-9-16-3-5-18(6-4-16)28-14-17-7-10-22-11-8-17/h3-8,10-11,15,19H,9,12-14H2,1-2H3,(H,24,25)(H,26,27)