[5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoranyl-4-pentoxy-benzoate

Systemtic Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoranyl-4-pentoxy-benzoate Openeye Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoro-4-pentoxy-benzoate CAS Name: 2-fluoro-4-pentoxybenzoic acid [5-[4-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] 2-fluoro-4-pentoxybenzoate Traditional Name: 4-amoxy-2-fluoro-benzoic acid [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C27H31FN2O4 MolecularWeight: 466.544443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31FN2O4/c1-4-6-7-14-32-22-12-13-23(24(28)15-22)27(31)34-26-17-29-25(16-30-26)20-8-10-21(11-9-20)33-18-19(3)5-2/h8-13,15-17,19H,4-7,14,18H2,1-3H3