2-[(4-carboxyphenyl)carbonylamino]-4-(4-methylpentanoylamino)benzoic acid

Systemtic Name: 2-[(4-carboxyphenyl)carbonylamino]-4-(4-methylpentanoylamino)benzoic acid Openeye Name: 2-[(4-carboxybenzoyl)amino]-4-(4-methylpentanoylamino)benzoic acid CAS Name: 2-[[(4-carboxyphenyl)-oxomethyl]amino]-4-[(4-methyl-1-oxopentyl)amino]benzoic acid IUPAC Name: 2-[(4-carboxybenzoyl)amino]-4-(4-methylpentanoylamino)benzoic acid Traditional Name: 2-[(4-carboxybenzoyl)amino]-4-(4-methylpentanoylamino)benzoic acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NC1=CC(=C(C=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)CCC(=O)NC1=CC(=C(C=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H22N2O6/c1-12(2)3-10-18(24)22-15-8-9-16(21(28)29)17(11-15)23-19(25)13-4-6-14(7-5-13)20(26)27/h4-9,11-12H,3,10H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)