[4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-heptylbenzoate

Systemtic Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-heptylbenzoate Openeye Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid [4-(2-methylbutoxy)-2-(2-pyrazinyl)phenyl] ester IUPAC Name: [4-(2-methylbutoxy)-2-pyrazin-2-ylphenyl] 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] ester Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

InChI

InChI=1S/C29H36N2O3/c1-4-6-7-8-9-10-23-11-13-24(14-12-23)29(32)34-28-16-15-25(33-21-22(3)5-2)19-26(28)27-20-30-17-18-31-27/h11-20,22H,4-10,21H2,1-3H3