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3-[6-azanylhexyl-(3-carboxyphenyl)carbonyl-carbamoyl]benzoic acid

3-[6-azanylhexyl-(3-carboxyphenyl)carbonyl-carbamoyl]benzoic acid

Systemtic Name:3-[6-azanylhexyl-(3-carboxyphenyl)carbonyl-carbamoyl]benzoic acid
Openeye Name:3-[6-aminohexyl-(3-carboxybenzoyl)carbamoyl]benzoic acid
CAS Name:3-[[6-aminohexyl-[(3-carboxyphenyl)-oxomethyl]amino]-oxomethyl]benzoic acid
IUPAC Name:3-[6-aminohexyl-(3-carboxybenzoyl)carbamoyl]benzoic acid
Traditional Name:3-[6-aminohexyl-(3-carboxybenzoyl)carbamoyl]benzoic acid
Formula: C22H24N2O6
MolecularWeight: 412.43576
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)N(CCCCCCN)C(=O)C2=CC(=CC=C2)C(=O)O


Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)N(CCCCCCN)C(=O)C2=CC(=CC=C2)C(=O)O


InChI

InChI=1S/C22H24N2O6/c23-11-3-1-2-4-12-24(19(25)15-7-5-9-17(13-15)21(27)28)20(26)16-8-6-10-18(14-16)22(29)30/h5-10,13-14H,1-4,11-12,23H2,(H,27,28)(H,29,30)


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