6-methyl-2-oxidanylidene-5-pyridin-4-yl-1H-pyridine-3-carbonitrile; methyl 3-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]propanoate

Systemtic Name: 6-methyl-2-oxidanylidene-5-pyridin-4-yl-1H-pyridine-3-carbonitrile; methyl 3-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]propanoate Openeye Name: methyl 3-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]propanoate; 6-methyl-2-oxo-5-(4-pyridyl)-1H-pyridine-3-carbonitrile CAS Name: 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid methyl ester; 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile IUPAC Name: methyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate; 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile Traditional Name: 3-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]propionic acid methyl ester; 2-keto-6-methyl-5-(4-pyridyl)-1H-pyridine-3-carbonitrile Formula: C28H34N4O5 MolecularWeight: 506.59336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2.CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O

Isomeric SMILES

CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2.CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O

InChI

InChI=1S/C16H25NO4.C12H9N3O/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3;1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3;2-6H,1H3,(H,15,16)