tert-butyl 19-(anthracen-9-ylmethyl)-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-10-carboxylate

Systemtic Name: tert-butyl 19-(anthracen-9-ylmethyl)-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-10-carboxylate Openeye Name: tert-butyl 19-(9-anthrylmethyl)-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-10-carboxylate CAS Name: 19-(9-anthracenylmethyl)-1,4,7,13,16-pentaoxa-10,19-diazacycloheneicosane-10-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 19-(anthracen-9-ylmethyl)-1,4,7,13,16-pentaoxa-10,19-diazacyclohenicosane-10-carboxylate Traditional Name: 19-(9-anthrylmethyl)-1,4,7,13,16-pentaoxa-10,19-diazacycloheneicosane-10-carboxylic acid tert-butyl ester Formula: C34H48N2O7 MolecularWeight: 596.75412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCOCCOCCN(CCOCCOCCOCC1)CC2=C3C=CC=CC3=CC4=CC=CC=C42

Isomeric SMILES

CC(C)(C)OC(=O)N1CCOCCOCCN(CCOCCOCCOCC1)CC2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C34H48N2O7/c1-34(2,3)43-33(37)36-14-18-40-21-20-38-16-12-35(13-17-39-22-24-42-25-23-41-19-15-36)27-32-30-10-6-4-8-28(30)26-29-9-5-7-11-31(29)32/h4-11,26H,12-25,27H2,1-3H3