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

Systemtic Name: 2-(carboxymethyloxy)-5-[[(4-dec-1-ynylphenyl)methyl-ethanoyl-amino]methyl]benzoic acid Openeye Name: 5-[[acetyl-[(4-dec-1-ynylphenyl)methyl]amino]methyl]-2-(carboxymethyloxy)benzoic acid CAS Name: 5-[[acetyl-[(4-dec-1-ynylphenyl)methyl]amino]methyl]-2-(carboxymethyloxy)benzoic acid IUPAC Name: 5-[[acetyl-[(4-dec-1-ynylphenyl)methyl]amino]methyl]-2-(carboxymethyloxy)benzoic acid Traditional Name: 5-[[acetyl-(4-dec-1-ynylbenzyl)amino]methyl]-2-(carboxymethyloxy)benzoic acid Formula: C29H35NO6 MolecularWeight: 493.5913

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CC=C(C=C1)CN(CC2=CC(=C(C=C2)OCC(=O)O)C(=O)O)C(=O)C

Isomeric SMILES

CCCCCCCCC#CC1=CC=C(C=C1)CN(CC2=CC(=C(C=C2)OCC(=O)O)C(=O)O)C(=O)C

InChI

InChI=1S/C29H35NO6/c1-3-4-5-6-7-8-9-10-11-23-12-14-24(15-13-23)19-30(22(2)31)20-25-16-17-27(36-21-28(32)33)26(18-25)29(34)35/h12-18H,3-9,19-21H2,1-2H3,(H,32,33)(H,34,35)