ethyl 4-[(3-methoxyphenyl)methyl]-1-(3-phenylprop-2-ynyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-(3-phenylprop-2-ynyl)piperidine-4-carboxylate Openeye Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-(3-phenylprop-2-ynyl)piperidine-4-carboxylate CAS Name: 4-[(3-methoxyphenyl)methyl]-1-(3-phenylprop-2-ynyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-(3-phenylprop-2-ynyl)piperidine-4-carboxylate Traditional Name: 4-m-anisyl-1-(3-phenylprop-2-ynyl)isonipecotic acid ethyl ester Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC#CC2=CC=CC=C2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC#CC2=CC=CC=C2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C25H29NO3/c1-3-29-24(27)25(20-22-11-7-13-23(19-22)28-2)14-17-26(18-15-25)16-8-12-21-9-5-4-6-10-21/h4-7,9-11,13,19H,3,14-18,20H2,1-2H3