tritert-butyl 2-(prop-2-enoxymethyl)-1-oxa-4,11,18-triazacyclohenicosane-4,11,18-tricarboxylate

Systemtic Name: tritert-butyl 2-(prop-2-enoxymethyl)-1-oxa-4,11,18-triazacyclohenicosane-4,11,18-tricarboxylate Openeye Name: tritert-butyl 2-(allyloxymethyl)-1-oxa-4,11,18-triazacyclohenicosane-4,11,18-tricarboxylate CAS Name: 2-(prop-2-enoxymethyl)-1-oxa-4,11,18-triazacycloheneicosane-4,11,18-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 2-(prop-2-enoxymethyl)-1-oxa-4,11,18-triazacyclohenicosane-4,11,18-tricarboxylate Traditional Name: 2-(allyloxymethyl)-1-oxa-4,11,18-triazacycloheneicosane-4,11,18-tricarboxylic acid tritert-butyl ester Formula: C36H67N3O8 MolecularWeight: 669.93248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCCCN(CCCOC(CN(CCCCCC1)C(=O)OC(C)(C)C)COCC=C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCCCN(CCCOC(CN(CCCCCC1)C(=O)OC(C)(C)C)COCC=C)C(=O)OC(C)(C)C

InChI

InChI=1S/C36H67N3O8/c1-11-26-43-29-30-28-39(33(42)47-36(8,9)10)24-19-15-14-17-22-37(31(40)45-34(2,3)4)21-16-12-13-18-23-38(25-20-27-44-30)32(41)46-35(5,6)7/h11,30H,1,12-29H2,2-10H3