1-(1,4,7,10,13-pentazacyclopentadec-1-ylmethyl)cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 1-(1,4,7,10,13-pentazacyclopentadec-1-ylmethyl)cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 1-(1,4,7,10,13-pentazacyclopentadec-1-ylmethyl)cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 1-(1,4,7,10,13-pentazacyclopentadec-1-ylmethyl)-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 1-(1,4,7,10,13-pentazacyclopentadec-1-ylmethyl)cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 1-(1,4,7,10,13-pentazacyclopentadec-1-ylmethyl)cyclohexa-2,4-diene-1-carboxylic acid Formula: C18H33N5O2 MolecularWeight: 351.48692

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCN(CCNCCN1)CC2(CC=CC=C2)C(=O)O

Isomeric SMILES

C1CNCCNCCN(CCNCCN1)CC2(CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H33N5O2/c24-17(25)18(4-2-1-3-5-18)16-23-14-12-21-10-8-19-6-7-20-9-11-22-13-15-23/h1-4,19-22H,5-16H2,(H,24,25)