2-[(4-carboxyphenyl)methyl-pentanoyl-amino]benzoic acid

Systemtic Name: 2-[(4-carboxyphenyl)methyl-pentanoyl-amino]benzoic acid Openeye Name: 2-[(4-carboxyphenyl)methyl-pentanoyl-amino]benzoic acid CAS Name: 2-[(4-carboxyphenyl)methyl-(1-oxopentyl)amino]benzoic acid IUPAC Name: 2-[(4-carboxyphenyl)methyl-pentanoylamino]benzoic acid Traditional Name: 2-[(4-carboxybenzyl)-valeryl-amino]benzoic acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C(=O)O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C(=O)O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C20H21NO5/c1-2-3-8-18(22)21(17-7-5-4-6-16(17)20(25)26)13-14-9-11-15(12-10-14)19(23)24/h4-7,9-12H,2-3,8,13H2,1H3,(H,23,24)(H,25,26)