[2,2-dimethyl-6-[4-(4-phenylbutyl)phenoxy]hexyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2,2-dimethyl-6-[4-(4-phenylbutyl)phenoxy]hexyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2,2-dimethyl-6-[4-(4-phenylbutyl)phenoxy]hexyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2,2-dimethyl-6-[4-(4-phenylbutyl)phenoxy]hexyl] ester IUPAC Name: [2,2-dimethyl-6-[4-(4-phenylbutyl)phenoxy]hexyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2,2-dimethyl-6-[4-(4-phenylbutyl)phenoxy]hexyl] ester Formula: C30H38N2O3 MolecularWeight: 474.63432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(C)(C)CCCCOC2=CC=C(C=C2)CCCCC3=CC=CC=C3

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(C)(C)CCCCOC2=CC=C(C=C2)CCCCC3=CC=CC=C3

InChI

InChI=1S/C30H38N2O3/c1-24-21-32-28(22-31-24)29(33)35-23-30(2,3)19-9-10-20-34-27-17-15-26(16-18-27)14-8-7-13-25-11-5-4-6-12-25/h4-6,11-12,15-18,21-22H,7-10,13-14,19-20,23H2,1-3H3