tert-butyl N-[4-oxidanylidene-5-[(E)-3-phenylprop-2-enyl]-1,3,5-triazacyclotridecen-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-oxidanylidene-5-[(E)-3-phenylprop-2-enyl]-1,3,5-triazacyclotridecen-2-yl]carbamate Openeye Name: tert-butyl N-[5-[(E)-cinnamyl]-4-oxo-1,3,5-triazacyclotridecen-2-yl]carbamate CAS Name: N-[4-oxo-5-[(E)-3-phenylprop-2-enyl]-1,3,5-triazacyclotridecen-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-oxo-5-[(E)-3-phenylprop-2-enyl]-1,3,5-triazacyclotridecen-2-yl]carbamate Traditional Name: N-[5-[(E)-cinnamyl]-4-keto-1,3,5-triazacyclotridecen-2-yl]carbamic acid tert-butyl ester Formula: C24H36N4O3 MolecularWeight: 428.56764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NCCCCCCCCN(C(=O)N1)CC=CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NCCCCCCCCN(C(=O)N1)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C24H36N4O3/c1-24(2,3)31-23(30)27-21-25-17-11-6-4-5-7-12-18-28(22(29)26-21)19-13-16-20-14-9-8-10-15-20/h8-10,13-16H,4-7,11-12,17-19H2,1-3H3,(H2,25,26,27,29,30)/b16-13+