methyl 5-[[2-(azocan-1-yl)pyridin-3-yl]methylamino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[[2-(azocan-1-yl)pyridin-3-yl]methylamino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[[2-(azocan-1-yl)-3-pyridyl]methylamino]-5-oxo-pentanoate CAS Name: 5-[[2-(1-azocanyl)-3-pyridinyl]methylamino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[[2-(azocan-1-yl)pyridin-3-yl]methylamino]-5-oxopentanoate Traditional Name: 5-[[2-(azocan-1-yl)-3-pyridyl]methylamino]-5-keto-valeric acid methyl ester Formula: C19H29N3O3 MolecularWeight: 347.45186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)NCC1=C(N=CC=C1)N2CCCCCCC2

Isomeric SMILES

COC(=O)CCCC(=O)NCC1=C(N=CC=C1)N2CCCCCCC2

InChI

InChI=1S/C19H29N3O3/c1-25-18(24)11-7-10-17(23)21-15-16-9-8-12-20-19(16)22-13-5-3-2-4-6-14-22/h8-9,12H,2-7,10-11,13-15H2,1H3,(H,21,23)