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

Systemtic Name: [3-[3-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-octoxycarbonyloxybenzoate Openeye Name: [3-[3-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-octoxycarbonyloxybenzoate CAS Name: 4-[octoxy(oxo)methoxy]benzoic acid [3-[3-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [3-[3-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-octoxycarbonyloxybenzoate Traditional Name: 4-octoxycarbonyloxybenzoic acid [3-[3-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C31H38N2O6 MolecularWeight: 534.64322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38N2O6/c1-4-6-7-8-9-10-20-36-31(35)38-26-16-14-24(15-17-26)30(34)39-29-28(32-18-19-33-29)25-12-11-13-27(21-25)37-22-23(3)5-2/h11-19,21,23H,4-10,20,22H2,1-3H3