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

Systemtic Name: methyl 5-[di(propan-2-yl)amino]-5-oxidanylidene-4-pyridin-3-yl-3-pyridin-4-yl-pentanoate Openeye Name: methyl 5-(diisopropylamino)-5-oxo-4-(3-pyridyl)-3-(4-pyridyl)pentanoate CAS Name: 5-[di(propan-2-yl)amino]-5-oxo-4-(3-pyridinyl)-3-pyridin-4-ylpentanoic acid methyl ester IUPAC Name: methyl 5-[di(propan-2-yl)amino]-5-oxo-4-pyridin-3-yl-3-pyridin-4-ylpentanoate Traditional Name: 5-(diisopropylamino)-5-keto-4-(3-pyridyl)-3-(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=CN=CC=C1)C(CC(=O)OC)C2=CC=NC=C2

Isomeric SMILES

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

InChI

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