4-methyl-3-[octyl-(phenylmethyl)amino]pentanoate

Systemtic Name: 4-methyl-3-[octyl-(phenylmethyl)amino]pentanoate Openeye Name: 3-[benzyl(octyl)amino]-4-methyl-pentanoate CAS Name: 4-methyl-3-[octyl-(phenylmethyl)amino]pentanoate IUPAC Name: 3-[benzyl(octyl)amino]-4-methylpentanoate Traditional Name: 3-[benzyl(octyl)amino]-4-methyl-valerate Formula: C21H34NO2- MolecularWeight: 332.50016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CC1=CC=CC=C1)C(CC(=O)[O-])C(C)C

Isomeric SMILES

CCCCCCCCN(CC1=CC=CC=C1)C(CC(=O)[O-])C(C)C

InChI

InChI=1S/C21H35NO2/c1-4-5-6-7-8-12-15-22(17-19-13-10-9-11-14-19)20(18(2)3)16-21(23)24/h9-11,13-14,18,20H,4-8,12,15-17H2,1-3H3,(H,23,24)/p-1