2-[5-[4-(4-methanoylpiperazin-1-yl)phenyl]pyridin-3-yl]-4-methyl-pentanoic acid

Systemtic Name: 2-[5-[4-(4-methanoylpiperazin-1-yl)phenyl]pyridin-3-yl]-4-methyl-pentanoic acid Openeye Name: 2-[5-[4-(4-formylpiperazin-1-yl)phenyl]-3-pyridyl]-4-methyl-pentanoic acid CAS Name: 2-[5-[4-(4-formyl-1-piperazinyl)phenyl]-3-pyridinyl]-4-methylpentanoic acid IUPAC Name: 2-[5-[4-(4-formylpiperazin-1-yl)phenyl]pyridin-3-yl]-4-methylpentanoic acid Traditional Name: 2-[5-[4-(4-formylpiperazino)phenyl]-3-pyridyl]-4-methyl-valeric acid Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CN=CC(=C1)C2=CC=C(C=C2)N3CCN(CC3)C=O)C(=O)O

Isomeric SMILES

CC(C)CC(C1=CN=CC(=C1)C2=CC=C(C=C2)N3CCN(CC3)C=O)C(=O)O

InChI

InChI=1S/C22H27N3O3/c1-16(2)11-21(22(27)28)19-12-18(13-23-14-19)17-3-5-20(6-4-17)25-9-7-24(15-26)8-10-25/h3-6,12-16,21H,7-11H2,1-2H3,(H,27,28)