5-[(4-dec-1-ynylphenyl)methyl-ethanoyl-amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(4-dec-1-ynylphenyl)methyl-ethanoyl-amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[acetyl-[(4-dec-1-ynylphenyl)methyl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[acetyl-[(4-dec-1-ynylphenyl)methyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[acetyl-[(4-dec-1-ynylphenyl)methyl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[acetyl-(4-dec-1-ynylbenzyl)amino]-2-hydroxy-benzoic acid Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CC=C(C=C1)CN(C2=CC(=C(C=C2)O)C(=O)O)C(=O)C

Isomeric SMILES

CCCCCCCCC#CC1=CC=C(C=C1)CN(C2=CC(=C(C=C2)O)C(=O)O)C(=O)C

InChI

InChI=1S/C26H31NO4/c1-3-4-5-6-7-8-9-10-11-21-12-14-22(15-13-21)19-27(20(2)28)23-16-17-25(29)24(18-23)26(30)31/h12-18,29H,3-9,19H2,1-2H3,(H,30,31)