4-[(16-methoxy-16-oxidanylidene-hexadec-4-ynyl)amino]benzoic acid

Systemtic Name: 4-[(16-methoxy-16-oxidanylidene-hexadec-4-ynyl)amino]benzoic acid Openeye Name: 4-[(16-methoxy-16-oxo-hexadec-4-ynyl)amino]benzoic acid CAS Name: 4-[(16-methoxy-16-oxohexadec-4-ynyl)amino]benzoic acid IUPAC Name: 4-[(16-methoxy-16-oxohexadec-4-ynyl)amino]benzoic acid Traditional Name: 4-[(16-keto-16-methoxy-hexadec-4-ynyl)amino]benzoic acid Formula: C24H35NO4 MolecularWeight: 401.539

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCCCC#CCCCNC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

COC(=O)CCCCCCCCCCC#CCCCNC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C24H35NO4/c1-29-23(26)15-13-11-9-7-5-3-2-4-6-8-10-12-14-20-25-22-18-16-21(17-19-22)24(27)28/h16-19,25H,2-7,9,11-15,20H2,1H3,(H,27,28)