methyl 5-[di(propan-2-yl)amino]-5-oxidanylidene-3-pyridin-2-yl-4-pyridin-4-yl-pentanoate

Systemtic Name: methyl 5-[di(propan-2-yl)amino]-5-oxidanylidene-3-pyridin-2-yl-4-pyridin-4-yl-pentanoate Openeye Name: methyl 5-(diisopropylamino)-5-oxo-3-(2-pyridyl)-4-(4-pyridyl)pentanoate CAS Name: 5-[di(propan-2-yl)amino]-5-oxo-3-(2-pyridinyl)-4-pyridin-4-ylpentanoic acid methyl ester IUPAC Name: methyl 5-[di(propan-2-yl)amino]-5-oxo-3-pyridin-2-yl-4-pyridin-4-ylpentanoate Traditional Name: 5-(diisopropylamino)-5-keto-3-(2-pyridyl)-4-(4-pyridyl)valeric acid methyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C(C1=CC=NC=C1)C(CC(=O)OC)C2=CC=CC=N2

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C(C1=CC=NC=C1)C(CC(=O)OC)C2=CC=CC=N2

InChI

InChI=1S/C22H29N3O3/c1-15(2)25(16(3)4)22(27)21(17-9-12-23-13-10-17)18(14-20(26)28-5)19-8-6-7-11-24-19/h6-13,15-16,18,21H,14H2,1-5H3