(phenylmethyl) 4-azanyl-2,3-dimethyl-5-octadecyl-benzoate

Systemtic Name: (phenylmethyl) 4-azanyl-2,3-dimethyl-5-octadecyl-benzoate Openeye Name: benzyl 4-amino-2,3-dimethyl-5-octadecyl-benzoate CAS Name: 4-amino-2,3-dimethyl-5-octadecylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-amino-2,3-dimethyl-5-octadecylbenzoate Traditional Name: 4-amino-2,3-dimethyl-5-stearyl-benzoic acid benzyl ester Formula: C34H53NO2 MolecularWeight: 507.79012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C(=C1)C(=O)OCC2=CC=CC=C2)C)C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C(C(=C(C(=C1)C(=O)OCC2=CC=CC=C2)C)C)N

InChI

InChI=1S/C34H53NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-31-26-32(28(2)29(3)33(31)35)34(36)37-27-30-23-20-19-21-24-30/h19-21,23-24,26H,4-18,22,25,27,35H2,1-3H3