4-methylpentyl 2-(diheptylcarbamoyl)benzoate

Systemtic Name: 4-methylpentyl 2-(diheptylcarbamoyl)benzoate Openeye Name: isohexyl 2-(diheptylcarbamoyl)benzoate CAS Name: 2-[(diheptylamino)-oxomethyl]benzoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 2-(diheptylcarbamoyl)benzoate Traditional Name: 2-(diheptylcarbamoyl)benzoic acid isohexyl ester Formula: C28H47NO3 MolecularWeight: 445.67768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCCC)C(=O)C1=CC=CC=C1C(=O)OCCCC(C)C

Isomeric SMILES

CCCCCCCN(CCCCCCC)C(=O)C1=CC=CC=C1C(=O)OCCCC(C)C

InChI

InChI=1S/C28H47NO3/c1-5-7-9-11-15-21-29(22-16-12-10-8-6-2)27(30)25-19-13-14-20-26(25)28(31)32-23-17-18-24(3)4/h13-14,19-20,24H,5-12,15-18,21-23H2,1-4H3