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2,6-dibenzamido-3-oxidanyl-heptanedioic acid

2,6-dibenzamido-3-oxidanyl-heptanedioic acid

Systemtic Name:2,6-dibenzamido-3-oxidanyl-heptanedioic acid
Openeye Name:2,6-dibenzamido-3-hydroxy-heptanedioic acid
CAS Name:2,6-dibenzamido-3-hydroxyheptanedioic acid
IUPAC Name:2,6-dibenzamido-3-hydroxyheptanedioic acid
Traditional Name:2,6-dibenzamido-3-hydroxy-pimelic acid
Formula: C21H22N2O7
MolecularWeight: 414.40858
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H22N2O7/c24-16(17(21(29)30)23-19(26)14-9-5-2-6-10-14)12-11-15(20(27)28)22-18(25)13-7-3-1-4-8-13/h1-10,15-17,24H,11-12H2,(H,22,25)(H,23,26)(H,27,28)(H,29,30)


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