2-[4-[2-methyl-2-[[2-oxidanyl-3-(2-thiophen-2-ylphenoxy)propyl]amino]propyl]phenoxy]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[2-methyl-2-[[2-oxidanyl-3-(2-thiophen-2-ylphenoxy)propyl]amino]propyl]phenoxy]pyridine-3-carbonitrile Openeye Name: 2-[4-[2-[[2-hydroxy-3-[2-(2-thienyl)phenoxy]propyl]amino]-2-methyl-propyl]phenoxy]pyridine-3-carbonitrile CAS Name: 2-[4-[2-[[2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]phenoxy]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[2-[[2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]phenoxy]pyridine-3-carbonitrile Traditional Name: 2-[4-[2-[[2-hydroxy-3-[2-(2-thienyl)phenoxy]propyl]amino]-2-methyl-propyl]phenoxy]nicotinonitrile Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)OC2=C(C=CC=N2)C#N)NCC(COC3=CC=CC=C3C4=CC=CS4)O

Isomeric SMILES

CC(C)(CC1=CC=C(C=C1)OC2=C(C=CC=N2)C#N)NCC(COC3=CC=CC=C3C4=CC=CS4)O

InChI

InChI=1S/C29H29N3O3S/c1-29(2,17-21-11-13-24(14-12-21)35-28-22(18-30)7-5-15-31-28)32-19-23(33)20-34-26-9-4-3-8-25(26)27-10-6-16-36-27/h3-16,23,32-33H,17,19-20H2,1-2H3