(phenylmethyl) N-[2-[5-(4-chlorophenyl)pent-4-ynoylamino]ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-[5-(4-chlorophenyl)pent-4-ynoylamino]ethyl]carbamate Openeye Name: benzyl N-[2-[5-(4-chlorophenyl)pent-4-ynoylamino]ethyl]carbamate CAS Name: N-[2-[[5-(4-chlorophenyl)-1-oxopent-4-ynyl]amino]ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[5-(4-chlorophenyl)pent-4-ynoylamino]ethyl]carbamate Traditional Name: N-[2-[5-(4-chlorophenyl)pent-4-ynoylamino]ethyl]carbamic acid benzyl ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCNC(=O)CCC#CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCNC(=O)CCC#CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H21ClN2O3/c22-19-12-10-17(11-13-19)6-4-5-9-20(25)23-14-15-24-21(26)27-16-18-7-2-1-3-8-18/h1-3,7-8,10-13H,5,9,14-16H2,(H,23,25)(H,24,26)