(4-methylphenyl) 7-(2-azanylpropan-2-yl)henicosanoate

Systemtic Name: (4-methylphenyl) 7-(2-azanylpropan-2-yl)henicosanoate Openeye Name: p-tolyl 7-(1-amino-1-methyl-ethyl)henicosanoate CAS Name: 7-(2-aminopropan-2-yl)heneicosanoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 7-(2-aminopropan-2-yl)henicosanoate Traditional Name: 7-(1-amino-1-methyl-ethyl)heneicosanoic acid p-tolyl ester Formula: C31H55NO2 MolecularWeight: 473.7739

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCCCC(=O)OC1=CC=C(C=C1)C)C(C)(C)N

Isomeric SMILES

CCCCCCCCCCCCCCC(CCCCCC(=O)OC1=CC=C(C=C1)C)C(C)(C)N

InChI

InChI=1S/C31H55NO2/c1-5-6-7-8-9-10-11-12-13-14-15-17-20-28(31(3,4)32)21-18-16-19-22-30(33)34-29-25-23-27(2)24-26-29/h23-26,28H,5-22,32H2,1-4H3