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

Systemtic Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-undecoxybenzoate Openeye Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-undecoxybenzoate CAS Name: 4-undecoxybenzoic acid [4-(2-methylbutoxy)-2-(2-pyrazinyl)phenyl] ester IUPAC Name: [4-(2-methylbutoxy)-2-pyrazin-2-ylphenyl] 4-undecoxybenzoate Traditional Name: 4-undecoxybenzoic acid [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] ester Formula: C33H44N2O4 MolecularWeight: 532.71346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

InChI

InChI=1S/C33H44N2O4/c1-4-6-7-8-9-10-11-12-13-22-37-28-16-14-27(15-17-28)33(36)39-32-19-18-29(38-25-26(3)5-2)23-30(32)31-24-34-20-21-35-31/h14-21,23-24,26H,4-13,22,25H2,1-3H3