ethyl 1-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate Openeye Name: ethyl 1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate CAS Name: 1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-(2-phenoxyethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate Traditional Name: 1-[4-(4-hydroxybut-1-ynyl)benzyl]-3-(2-phenoxyethyl)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)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)CC2=CC=C(C=C2)C#CCCO)CCOC3=CC=CC=C3

InChI

InChI=1S/C27H33NO4/c1-2-31-26(30)27(17-20-32-25-10-4-3-5-11-25)16-8-18-28(22-27)21-24-14-12-23(13-15-24)9-6-7-19-29/h3-5,10-15,29H,2,7-8,16-22H2,1H3