[6-[4-(5-propoxypentyl)phenyl]pyridin-3-yl] oct-7-enoate

Systemtic Name: [6-[4-(5-propoxypentyl)phenyl]pyridin-3-yl] oct-7-enoate Openeye Name: [6-[4-(5-propoxypentyl)phenyl]-3-pyridyl] oct-7-enoate CAS Name: 7-octenoic acid [6-[4-(5-propoxypentyl)phenyl]-3-pyridinyl] ester IUPAC Name: [6-[4-(5-propoxypentyl)phenyl]pyridin-3-yl] oct-7-enoate Traditional Name: oct-7-enoic acid [6-[4-(5-propoxypentyl)phenyl]-3-pyridyl] ester Formula: C27H37NO3 MolecularWeight: 423.58758

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCCCCC1=CC=C(C=C1)C2=NC=C(C=C2)OC(=O)CCCCCC=C

Isomeric SMILES

CCCOCCCCCC1=CC=C(C=C1)C2=NC=C(C=C2)OC(=O)CCCCCC=C

InChI

InChI=1S/C27H37NO3/c1-3-5-6-7-10-13-27(29)31-25-18-19-26(28-22-25)24-16-14-23(15-17-24)12-9-8-11-21-30-20-4-2/h3,14-19,22H,1,4-13,20-21H2,2H3