4-[3-(3-butylphenyl)pyrazin-2-yl]-2-propyl-pentanoate

Systemtic Name: 4-[3-(3-butylphenyl)pyrazin-2-yl]-2-propyl-pentanoate Openeye Name: 4-[3-(3-butylphenyl)pyrazin-2-yl]-2-propyl-pentanoate CAS Name: 4-[3-(3-butylphenyl)-2-pyrazinyl]-2-propylpentanoate IUPAC Name: 4-[3-(3-butylphenyl)pyrazin-2-yl]-2-propylpentanoate Traditional Name: 4-[3-(3-butylphenyl)pyrazin-2-yl]-2-propyl-valerate Formula: C22H29N2O2- MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1)C2=NC=CN=C2C(C)CC(CCC)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC=CC(=C1)C2=NC=CN=C2C(C)CC(CCC)C(=O)[O-]

InChI

InChI=1S/C22H30N2O2/c1-4-6-9-17-10-7-11-18(15-17)21-20(23-12-13-24-21)16(3)14-19(8-5-2)22(25)26/h7,10-13,15-16,19H,4-6,8-9,14H2,1-3H3,(H,25,26)/p-1