3-[(2-carboxyphenyl)methyl-pentanoyl-amino]-4-methyl-benzoic acid

Systemtic Name: 3-[(2-carboxyphenyl)methyl-pentanoyl-amino]-4-methyl-benzoic acid Openeye Name: 3-[(2-carboxyphenyl)methyl-pentanoyl-amino]-4-methyl-benzoic acid CAS Name: 3-[(2-carboxyphenyl)methyl-(1-oxopentyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(2-carboxyphenyl)methyl-pentanoylamino]-4-methylbenzoic acid Traditional Name: 3-[(2-carboxybenzyl)-valeryl-amino]-4-methyl-benzoic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=CC=C1C(=O)O)C2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CCCCC(=O)N(CC1=CC=CC=C1C(=O)O)C2=C(C=CC(=C2)C(=O)O)C

InChI

InChI=1S/C21H23NO5/c1-3-4-9-19(23)22(13-16-7-5-6-8-17(16)21(26)27)18-12-15(20(24)25)11-10-14(18)2/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,24,25)(H,26,27)