ethyl 3-methyl-3-pyridin-3-yl-4-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]butanoate

Systemtic Name: ethyl 3-methyl-3-pyridin-3-yl-4-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]butanoate Openeye Name: ethyl 3-methyl-3-(3-pyridyl)-4-[4-[3-(2-pyridylamino)propoxy]phenyl]butanoate CAS Name: 3-methyl-3-(3-pyridinyl)-4-[4-[3-(2-pyridinylamino)propoxy]phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 3-methyl-3-pyridin-3-yl-4-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]butanoate Traditional Name: 3-methyl-3-(3-pyridyl)-4-[4-[3-(2-pyridylamino)propoxy]phenyl]butyric acid ethyl ester Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(CC1=CC=C(C=C1)OCCCNC2=CC=CC=N2)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)CC(C)(CC1=CC=C(C=C1)OCCCNC2=CC=CC=N2)C3=CN=CC=C3

InChI

InChI=1S/C26H31N3O3/c1-3-31-25(30)19-26(2,22-8-6-14-27-20-22)18-21-10-12-23(13-11-21)32-17-7-16-29-24-9-4-5-15-28-24/h4-6,8-15,20H,3,7,16-19H2,1-2H3,(H,28,29)