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

Systemtic Name: [3-[3-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-butoxycarbonyloxybenzoate Openeye Name: [3-[3-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-butoxycarbonyloxybenzoate CAS Name: 4-[butoxy(oxo)methoxy]benzoic acid [3-[3-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [3-[3-(2-methylbutoxy)phenyl]pyrazin-2-yl] 4-butoxycarbonyloxybenzoate Traditional Name: 4-butoxycarbonyloxybenzoic acid [3-[3-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C27H30N2O6 MolecularWeight: 478.5369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O6/c1-4-6-16-32-27(31)34-22-12-10-20(11-13-22)26(30)35-25-24(28-14-15-29-25)21-8-7-9-23(17-21)33-18-19(3)5-2/h7-15,17,19H,4-6,16,18H2,1-3H3