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

Systemtic Name: 2-[carboxy-[2-[3-(pyridin-4-ylmethoxy)phenyl]ethyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[carboxy-[2-[3-(4-pyridylmethoxy)phenyl]ethyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[carboxy-[2-[3-(pyridin-4-ylmethoxy)phenyl]ethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[carboxy-[2-[3-(pyridin-4-ylmethoxy)phenyl]ethyl]amino]-4-methylpentanoic acid Traditional Name: 2-[carboxy-[2-[3-(4-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(=CC=C1)OCC2=CC=NC=C2)C(=O)O

Isomeric SMILES

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

InChI

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