tert-butyl 16-(phenylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate

Systemtic Name: tert-butyl 16-(phenylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate Openeye Name: tert-butyl 16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate CAS Name: 16-(phenylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate Traditional Name: 16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylic acid tert-butyl ester Formula: C24H40N2O6 MolecularWeight: 452.5842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCOCCOCCN(CCOCCOCC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCOCCOCCN(CCOCCOCC1)CC2=CC=CC=C2

InChI

InChI=1S/C24H40N2O6/c1-24(2,3)32-23(27)26-11-15-30-19-17-28-13-9-25(21-22-7-5-4-6-8-22)10-14-29-18-20-31-16-12-26/h4-8H,9-21H2,1-3H3