tert-butyl 4-[[2-(4-ethoxyphenyl)pyridin-4-yl]methyl-(4-methoxyphenyl)amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-(4-ethoxyphenyl)pyridin-4-yl]methyl-(4-methoxyphenyl)amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[N-[[2-(4-ethoxyphenyl)-4-pyridyl]methyl]-4-methoxy-anilino]piperidine-1-carboxylate CAS Name: 4-[N-[[2-(4-ethoxyphenyl)-4-pyridinyl]methyl]-4-methoxyanilino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[N-[[2-(4-ethoxyphenyl)pyridin-4-yl]methyl]-4-methoxyanilino]piperidine-1-carboxylate Traditional Name: 4-[4-methoxy-N-[(2-p-phenetyl-4-pyridyl)methyl]anilino]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H39N3O4 MolecularWeight: 517.65906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC=CC(=C2)CN(C3CCN(CC3)C(=O)OC(C)(C)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC=CC(=C2)CN(C3CCN(CC3)C(=O)OC(C)(C)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C31H39N3O4/c1-6-37-28-11-7-24(8-12-28)29-21-23(15-18-32-29)22-34(25-9-13-27(36-5)14-10-25)26-16-19-33(20-17-26)30(35)38-31(2,3)4/h7-15,18,21,26H,6,16-17,19-20,22H2,1-5H3