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

Systemtic Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-heptoxybenzoate Openeye Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-heptoxybenzoate CAS Name: 4-heptoxybenzoic acid [4-(2-methylbutoxy)-2-(2-pyrazinyl)phenyl] ester IUPAC Name: [4-(2-methylbutoxy)-2-pyrazin-2-ylphenyl] 4-heptoxybenzoate Traditional Name: 4-heptoxybenzoic acid [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] ester Formula: C29H36N2O4 MolecularWeight: 476.60714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

InChI

InChI=1S/C29H36N2O4/c1-4-6-7-8-9-18-33-24-12-10-23(11-13-24)29(32)35-28-15-14-25(34-21-22(3)5-2)19-26(28)27-20-30-16-17-31-27/h10-17,19-20,22H,4-9,18,21H2,1-3H3