(phenylmethyl) N-[2,9-bis(oxidanylidene)-1,8-diazacyclotetradec-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[2,9-bis(oxidanylidene)-1,8-diazacyclotetradec-3-yl]carbamate Openeye Name: benzyl N-(2,9-dioxo-1,8-diazacyclotetradec-3-yl)carbamate CAS Name: N-(2,9-dioxo-1,8-diazacyclotetradec-3-yl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(2,9-dioxo-1,8-diazacyclotetradec-3-yl)carbamate Traditional Name: N-(2,9-diketo-1,8-diazacyclotetradec-3-yl)carbamic acid benzyl ester Formula: C20H29N3O4 MolecularWeight: 375.46196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NCCCCC(C(=O)NCC1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CCC(=O)NCCCCC(C(=O)NCC1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H29N3O4/c24-18-12-5-2-7-14-22-19(25)17(11-6-8-13-21-18)23-20(26)27-15-16-9-3-1-4-10-16/h1,3-4,9-10,17H,2,5-8,11-15H2,(H,21,24)(H,22,25)(H,23,26)