2-[carboxy-[2-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[carboxy-[2-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[carboxy-[2-[4-(3-pyridylmethoxy)phenyl]ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[carboxy-[2-[4-(3-pyridinylmethoxy)phenyl]ethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[carboxy-[2-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]-4-methylpentanoic acid Traditional Name: 2-[carboxy-[2-[4-(3-pyridylmethoxy)phenyl]ethyl]amino]-4-methyl-valeric acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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