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2-[4-[4-(1-adamantyl)phenoxy]butyl]pyridine-4-carboxylate

2-[4-[4-(1-adamantyl)phenoxy]butyl]pyridine-4-carboxylate

Systemtic Name:2-[4-[4-(1-adamantyl)phenoxy]butyl]pyridine-4-carboxylate
Openeye Name:2-[4-[4-(1-adamantyl)phenoxy]butyl]pyridine-4-carboxylate
CAS Name:2-[4-[4-(1-adamantyl)phenoxy]butyl]-4-pyridinecarboxylate
IUPAC Name:2-[4-[4-(1-adamantyl)phenoxy]butyl]pyridine-4-carboxylate
Traditional Name:2-[4-[4-(1-adamantyl)phenoxy]butyl]isonicotinate
Formula: C26H30NO3-
MolecularWeight: 404.5213
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCCCCC5=NC=CC(=C5)C(=O)[O-]


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCCCCC5=NC=CC(=C5)C(=O)[O-]


InChI

InChI=1S/C26H31NO3/c28-25(29)21-8-9-27-23(14-21)3-1-2-10-30-24-6-4-22(5-7-24)26-15-18-11-19(16-26)13-20(12-18)17-26/h4-9,14,18-20H,1-3,10-13,15-17H2,(H,28,29)/p-1


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