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ethyl (3S)-1-(pyren-1-ylmethyl)piperidine-3-carboxylate

ethyl (3S)-1-(pyren-1-ylmethyl)piperidine-3-carboxylate

Systemtic Name:ethyl (3S)-1-(pyren-1-ylmethyl)piperidine-3-carboxylate
Openeye Name:ethyl (3S)-1-(pyren-1-ylmethyl)piperidine-3-carboxylate
CAS Name:(3S)-1-(1-pyrenylmethyl)-3-piperidinecarboxylic acid ethyl ester
IUPAC Name:ethyl (3S)-1-(pyren-1-ylmethyl)piperidine-3-carboxylate
Traditional Name:(3S)-1-(pyren-1-ylmethyl)nipecotic acid ethyl ester
Formula: C25H25NO2
MolecularWeight: 371.4715
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2


Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2


InChI

InChI=1S/C25H25NO2/c1-2-28-25(27)21-7-4-14-26(16-21)15-20-11-10-19-9-8-17-5-3-6-18-12-13-22(20)24(19)23(17)18/h3,5-6,8-13,21H,2,4,7,14-16H2,1H3/t21-/m0/s1


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