13-(pyren-1-ylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane

Systemtic Name: 13-(pyren-1-ylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane Openeye Name: 13-(pyren-1-ylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane CAS Name: 13-(1-pyrenylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane IUPAC Name: 13-(pyren-1-ylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane Traditional Name: 13-(pyren-1-ylmethyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCOCCOCCOCCN1CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C1COCCOCCOCCOCCN1CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C27H31NO4/c1-2-21-4-5-23-6-7-24(25-9-8-22(3-1)26(21)27(23)25)20-28-10-12-29-14-16-31-18-19-32-17-15-30-13-11-28/h1-9H,10-20H2