tert-butyl 16-(3-phenylpropanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate

Systemtic Name: tert-butyl 16-(3-phenylpropanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate Openeye Name: tert-butyl 16-(3-phenylpropanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate CAS Name: 16-(1-oxo-3-phenylpropyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 16-(3-phenylpropanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate Traditional Name: 16-hydrocinnamoyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylic acid tert-butyl ester Formula: C26H42N2O7 MolecularWeight: 494.62088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCOCCOCCN(CCOCCOCC1)C(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCOCCOCCN(CCOCCOCC1)C(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C26H42N2O7/c1-26(2,3)35-25(30)28-13-17-33-21-19-31-15-11-27(12-16-32-20-22-34-18-14-28)24(29)10-9-23-7-5-4-6-8-23/h4-8H,9-22H2,1-3H3