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

Systemtic Name: methyl 4-(3-bromophenyl)-5-[di(propan-2-yl)amino]-5-oxidanylidene-3-pyridin-3-yl-pentanoate Openeye Name: methyl 4-(3-bromophenyl)-5-(diisopropylamino)-5-oxo-3-(3-pyridyl)pentanoate CAS Name: 4-(3-bromophenyl)-5-[di(propan-2-yl)amino]-5-oxo-3-(3-pyridinyl)pentanoic acid methyl ester IUPAC Name: methyl 4-(3-bromophenyl)-5-[di(propan-2-yl)amino]-5-oxo-3-pyridin-3-ylpentanoate Traditional Name: 4-(3-bromophenyl)-5-(diisopropylamino)-5-keto-3-(3-pyridyl)valeric acid methyl ester Formula: C23H29BrN2O3 MolecularWeight: 461.39196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN2O3/c1-15(2)26(16(3)4)23(28)22(17-8-6-10-19(24)12-17)20(13-21(27)29-5)18-9-7-11-25-14-18/h6-12,14-16,20,22H,13H2,1-5H3