1-[1-(3-nonylphenyl)-2H-pyrazin-5-yl]propan-2-yl pentanoate

Systemtic Name: 1-[1-(3-nonylphenyl)-2H-pyrazin-5-yl]propan-2-yl pentanoate Openeye Name: [1-methyl-2-[1-(3-nonylphenyl)-2H-pyrazin-5-yl]ethyl] pentanoate CAS Name: pentanoic acid 1-[1-(3-nonylphenyl)-2H-pyrazin-5-yl]propan-2-yl ester IUPAC Name: 1-[1-(3-nonylphenyl)-2H-pyrazin-5-yl]propan-2-yl pentanoate Traditional Name: valeric acid [1-methyl-2-[1-(3-nonylphenyl)-2H-pyrazin-5-yl]ethyl] ester Formula: C27H42N2O2 MolecularWeight: 426.63458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=CC=C1)N2CC=NC(=C2)CC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCCCC1=CC(=CC=C1)N2CC=NC(=C2)CC(C)OC(=O)CCCC

InChI

InChI=1S/C27H42N2O2/c1-4-6-8-9-10-11-12-14-24-15-13-16-26(21-24)29-19-18-28-25(22-29)20-23(3)31-27(30)17-7-5-2/h13,15-16,18,21-23H,4-12,14,17,19-20H2,1-3H3