4-[hydroxymethyl(propyl)amino]-4-methoxy-3,3,5-trimethyl-6-pyridin-2-yloxy-cyclohexa-1,5-diene-1-carbonitrile

Systemtic Name: 4-[hydroxymethyl(propyl)amino]-4-methoxy-3,3,5-trimethyl-6-pyridin-2-yloxy-cyclohexa-1,5-diene-1-carbonitrile Openeye Name: 4-[hydroxymethyl(propyl)amino]-4-methoxy-3,3,5-trimethyl-6-(2-pyridyloxy)cyclohexa-1,5-diene-1-carbonitrile CAS Name: 4-[hydroxymethyl(propyl)amino]-4-methoxy-3,3,5-trimethyl-6-(2-pyridinyloxy)-1-cyclohexa-1,5-dienecarbonitrile IUPAC Name: 4-[hydroxymethyl(propyl)amino]-4-methoxy-3,3,5-trimethyl-6-pyridin-2-yloxycyclohexa-1,5-diene-1-carbonitrile Traditional Name: 4-methoxy-3,3,5-trimethyl-4-[methylol(propyl)amino]-6-(2-pyridyloxy)cyclohexa-1,5-diene-1-carbonitrile Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CO)C1(C(=C(C(=CC1(C)C)C#N)OC2=CC=CC=N2)C)OC

Isomeric SMILES

CCCN(CO)C1(C(=C(C(=CC1(C)C)C#N)OC2=CC=CC=N2)C)OC

InChI

InChI=1S/C20H27N3O3/c1-6-11-23(14-24)20(25-5)15(2)18(16(13-21)12-19(20,3)4)26-17-9-7-8-10-22-17/h7-10,12,24H,6,11,14H2,1-5H3