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

Systemtic Name: 5-[(4-dec-1-ynylphenyl)methyl-(2-phenoxyethanoyl)amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[(4-dec-1-ynylphenyl)methyl-(2-phenoxyacetyl)amino]-2-hydroxy-benzoic acid CAS Name: 5-[(4-dec-1-ynylphenyl)methyl-(1-oxo-2-phenoxyethyl)amino]-2-hydroxybenzoic acid IUPAC Name: 5-[(4-dec-1-ynylphenyl)methyl-(2-phenoxyacetyl)amino]-2-hydroxybenzoic acid Traditional Name: 5-[(4-dec-1-ynylbenzyl)-(2-phenoxyacetyl)amino]-2-hydroxy-benzoic acid Formula: C32H35NO5 MolecularWeight: 513.624

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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)COC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC#CC1=CC=C(C=C1)CN(C2=CC(=C(C=C2)O)C(=O)O)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C32H35NO5/c1-2-3-4-5-6-7-8-10-13-25-16-18-26(19-17-25)23-33(27-20-21-30(34)29(22-27)32(36)37)31(35)24-38-28-14-11-9-12-15-28/h9,11-12,14-22,34H,2-8,23-24H2,1H3,(H,36,37)