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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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