ethyl 3-[(3-methoxyphenyl)methyl]-1-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(3-methoxyphenyl)methyl]-1-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate CAS Name: 1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-[4-(4-hydroxybut-1-ynyl)benzyl]-3-m-anisyl-nipecotic acid ethyl ester Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CC=C(C=C2)C#CCCO)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)CC2=CC=C(C=C2)C#CCCO)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C27H33NO4/c1-3-32-26(30)27(19-24-9-6-10-25(18-24)31-2)15-7-16-28(21-27)20-23-13-11-22(12-14-23)8-4-5-17-29/h6,9-14,18,29H,3,5,7,15-17,19-21H2,1-2H3