4-azanyl-2-(16-methylheptadecanoyl)benzoic acid

Systemtic Name: 4-azanyl-2-(16-methylheptadecanoyl)benzoic acid Openeye Name: 4-amino-2-(16-methylheptadecanoyl)benzoic acid CAS Name: 4-amino-2-(16-methyl-1-oxoheptadecyl)benzoic acid IUPAC Name: 4-amino-2-(16-methylheptadecanoyl)benzoic acid Traditional Name: 4-amino-2-(16-methylheptadecanoyl)benzoic acid Formula: C25H41NO3 MolecularWeight: 403.59794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)C1=C(C=CC(=C1)N)C(=O)O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)C1=C(C=CC(=C1)N)C(=O)O

InChI

InChI=1S/C25H41NO3/c1-20(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-24(27)23-19-21(26)17-18-22(23)25(28)29/h17-20H,3-16,26H2,1-2H3,(H,28,29)