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

Systemtic Name: 3-[(2-methoxycarbonylphenyl)methyl-pentanoyl-amino]-4-methyl-benzoic acid Openeye Name: 3-[(2-methoxycarbonylphenyl)methyl-pentanoyl-amino]-4-methyl-benzoic acid CAS Name: 3-[(2-methoxycarbonylphenyl)methyl-(1-oxopentyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(2-methoxycarbonylphenyl)methyl-pentanoylamino]-4-methylbenzoic acid Traditional Name: 3-[(2-carbomethoxybenzyl)-valeryl-amino]-4-methyl-benzoic acid Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5/c1-4-5-10-20(24)23(19-13-16(21(25)26)12-11-15(19)2)14-17-8-6-7-9-18(17)22(27)28-3/h6-9,11-13H,4-5,10,14H2,1-3H3,(H,25,26)