3-[(3-methylphenyl)carbamoyl]tridecanoic acid

Systemtic Name: 3-[(3-methylphenyl)carbamoyl]tridecanoic acid Openeye Name: 3-(m-tolylcarbamoyl)tridecanoic acid CAS Name: 3-[(3-methylanilino)-oxomethyl]tridecanoic acid IUPAC Name: 3-[(3-methylphenyl)carbamoyl]tridecanoic acid Traditional Name: 3-(m-tolylcarbamoyl)tridecanoic acid Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CC(=O)O)C(=O)NC1=CC=CC(=C1)C

Isomeric SMILES

CCCCCCCCCCC(CC(=O)O)C(=O)NC1=CC=CC(=C1)C

InChI

InChI=1S/C21H33NO3/c1-3-4-5-6-7-8-9-10-13-18(16-20(23)24)21(25)22-19-14-11-12-17(2)15-19/h11-12,14-15,18H,3-10,13,16H2,1-2H3,(H,22,25)(H,23,24)