(3-methylphenyl) 4-(heptadecylamino)benzoate

Systemtic Name: (3-methylphenyl) 4-(heptadecylamino)benzoate Openeye Name: m-tolyl 4-(heptadecylamino)benzoate CAS Name: 4-(heptadecylamino)benzoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 4-(heptadecylamino)benzoate Traditional Name: 4-(heptadecylamino)benzoic acid m-tolyl ester Formula: C31H47NO2 MolecularWeight: 465.71038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C

InChI

InChI=1S/C31H47NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-32-29-23-21-28(22-24-29)31(33)34-30-20-18-19-27(2)26-30/h18-24,26,32H,3-17,25H2,1-2H3