ethyl 4-[3-methoxy-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethyl-butanoate

Systemtic Name: ethyl 4-[3-methoxy-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethyl-butanoate Openeye Name: ethyl 4-[3-methoxy-4-[3-(2-pyridylamino)propoxy]phenyl]-3,3-dimethyl-butanoate CAS Name: 4-[3-methoxy-4-[3-(2-pyridinylamino)propoxy]phenyl]-3,3-dimethylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-methoxy-4-[3-(pyridin-2-ylamino)propoxy]phenyl]-3,3-dimethylbutanoate Traditional Name: 4-[3-methoxy-4-[3-(2-pyridylamino)propoxy]phenyl]-3,3-dimethyl-butyric acid ethyl ester Formula: C23H32N2O4 MolecularWeight: 400.51118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C)CC1=CC(=C(C=C1)OCCCNC2=CC=CC=N2)OC

Isomeric SMILES

CCOC(=O)CC(C)(C)CC1=CC(=C(C=C1)OCCCNC2=CC=CC=N2)OC

InChI

InChI=1S/C23H32N2O4/c1-5-28-22(26)17-23(2,3)16-18-10-11-19(20(15-18)27-4)29-14-8-13-25-21-9-6-7-12-24-21/h6-7,9-12,15H,5,8,13-14,16-17H2,1-4H3,(H,24,25)