2-(hexadecoxycarbonylamino)-5-methyl-benzoic acid

Systemtic Name: 2-(hexadecoxycarbonylamino)-5-methyl-benzoic acid Openeye Name: 2-(hexadecoxycarbonylamino)-5-methyl-benzoic acid CAS Name: 2-[[hexadecoxy(oxo)methyl]amino]-5-methylbenzoic acid IUPAC Name: 2-(hexadecoxycarbonylamino)-5-methylbenzoic acid Traditional Name: 2-(cetyloxycarbonylamino)-5-methyl-benzoic acid Formula: C25H41NO4 MolecularWeight: 419.59734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)NC1=C(C=C(C=C1)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)NC1=C(C=C(C=C1)C)C(=O)O

InChI

InChI=1S/C25H41NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30-25(29)26-23-18-17-21(2)20-22(23)24(27)28/h17-18,20H,3-16,19H2,1-2H3,(H,26,29)(H,27,28)