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

Systemtic Name: ethyl 3-methyl-3-(phenylmethyl)-4-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]butanoate Openeye Name: ethyl 3-benzyl-3-methyl-4-[4-[3-(2-pyridylamino)propoxy]phenyl]butanoate CAS Name: 3-methyl-3-(phenylmethyl)-4-[4-[3-(2-pyridinylamino)propoxy]phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 3-benzyl-3-methyl-4-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]butanoate Traditional Name: 3-benzyl-3-methyl-4-[4-[3-(2-pyridylamino)propoxy]phenyl]butyric acid ethyl ester Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(CC1=CC=CC=C1)CC2=CC=C(C=C2)OCCCNC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)CC(C)(CC1=CC=CC=C1)CC2=CC=C(C=C2)OCCCNC3=CC=CC=N3

InChI

InChI=1S/C28H34N2O3/c1-3-32-27(31)22-28(2,20-23-10-5-4-6-11-23)21-24-13-15-25(16-14-24)33-19-9-18-30-26-12-7-8-17-29-26/h4-8,10-17H,3,9,18-22H2,1-2H3,(H,29,30)