[3-[1-[(3,4-dimethylphenoxy)methyl]-3,4-dimethyl-piperidin-4-yl]phenyl] pyridine-4-carboxylate

Systemtic Name: [3-[1-[(3,4-dimethylphenoxy)methyl]-3,4-dimethyl-piperidin-4-yl]phenyl] pyridine-4-carboxylate Openeye Name: [3-[1-[(3,4-dimethylphenoxy)methyl]-3,4-dimethyl-4-piperidyl]phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [3-[1-[(3,4-dimethylphenoxy)methyl]-3,4-dimethyl-4-piperidinyl]phenyl] ester IUPAC Name: [3-[1-[(3,4-dimethylphenoxy)methyl]-3,4-dimethylpiperidin-4-yl]phenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [3-[1-[(3,4-dimethylphenoxy)methyl]-3,4-dimethyl-4-piperidyl]phenyl] ester Formula: C28H32N2O3 MolecularWeight: 444.56528

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C)C2=CC(=CC=C2)OC(=O)C3=CC=NC=C3)COC4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1CN(CCC1(C)C2=CC(=CC=C2)OC(=O)C3=CC=NC=C3)COC4=CC(=C(C=C4)C)C

InChI

InChI=1S/C28H32N2O3/c1-20-8-9-25(16-21(20)2)32-19-30-15-12-28(4,22(3)18-30)24-6-5-7-26(17-24)33-27(31)23-10-13-29-14-11-23/h5-11,13-14,16-17,22H,12,15,18-19H2,1-4H3