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

Systemtic Name: [3-[3-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-hexoxycarbonyloxybenzoate Openeye Name: [3-[3-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-hexoxycarbonyloxybenzoate CAS Name: 4-[hexoxy(oxo)methoxy]benzoic acid [3-[3-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [3-[3-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-hexoxycarbonyloxybenzoate Traditional Name: 4-hexoxycarbonyloxybenzoic acid [3-[3-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C29H34N2O6 MolecularWeight: 506.59006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O6/c1-4-6-7-8-18-34-29(33)36-24-14-12-22(13-15-24)28(32)37-27-26(30-16-17-31-27)23-10-9-11-25(19-23)35-20-21(3)5-2/h9-17,19,21H,4-8,18,20H2,1-3H3