2-azanyl-6-[[4-[(2-carboxyphenyl)carbamoyl]phenyl]carbonylamino]benzoic acid; butan-1-amine

Systemtic Name: 2-azanyl-6-[[4-[(2-carboxyphenyl)carbamoyl]phenyl]carbonylamino]benzoic acid; butan-1-amine Openeye Name: 2-amino-6-[[4-[(2-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid; butan-1-amine CAS Name: 2-amino-6-[[[4-[(2-carboxyanilino)-oxomethyl]phenyl]-oxomethyl]amino]benzoic acid; 1-butanamine IUPAC Name: 2-amino-6-[[4-[(2-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid; butan-1-amine Traditional Name: 2-amino-6-[[4-[(2-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid; butylamine Formula: C26H28N4O6 MolecularWeight: 492.52372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN.C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3C(=O)O)N

Isomeric SMILES

CCCCN.C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3C(=O)O)N

InChI

InChI=1S/C22H17N3O6.C4H11N/c23-15-5-3-7-17(18(15)22(30)31)25-20(27)13-10-8-12(9-11-13)19(26)24-16-6-2-1-4-14(16)21(28)29;1-2-3-4-5/h1-11H,23H2,(H,24,26)(H,25,27)(H,28,29)(H,30,31);2-5H2,1H3