[3-[3-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-decoxycarbonyloxybenzoate

Systemtic Name: [3-[3-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-decoxycarbonyloxybenzoate Openeye Name: [3-[3-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-decoxycarbonyloxybenzoate CAS Name: 4-[decoxy(oxo)methoxy]benzoic acid [3-[3-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [3-[3-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-decoxycarbonyloxybenzoate Traditional Name: 4-decoxycarbonyloxybenzoic acid [3-[3-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C33H42N2O6 MolecularWeight: 562.69638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)OC1=CC=C(C=C1)C(=O)OC2=NC=CN=C2C3=CC(=CC=C3)OCC(C)CC

Isomeric SMILES

CCCCCCCCCCOC(=O)OC1=CC=C(C=C1)C(=O)OC2=NC=CN=C2C3=CC(=CC=C3)OCC(C)CC

InChI

InChI=1S/C33H42N2O6/c1-4-6-7-8-9-10-11-12-22-38-33(37)40-28-18-16-26(17-19-28)32(36)41-31-30(34-20-21-35-31)27-14-13-15-29(23-27)39-24-25(3)5-2/h13-21,23,25H,4-12,22,24H2,1-3H3