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

Systemtic Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-pentoxybenzoate Openeye Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [4-(2-methylbutoxy)-2-(2-pyrazinyl)phenyl] ester IUPAC Name: [4-(2-methylbutoxy)-2-pyrazin-2-ylphenyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] ester Formula: C27H32N2O4 MolecularWeight: 448.55398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

InChI

InChI=1S/C27H32N2O4/c1-4-6-7-16-31-22-10-8-21(9-11-22)27(30)33-26-13-12-23(32-19-20(3)5-2)17-24(26)25-18-28-14-15-29-25/h8-15,17-18,20H,4-7,16,19H2,1-3H3