(phenylmethyl) N-[1-[(1-chloranyl-2-oxidanylidene-heptan-3-yl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[(1-chloranyl-2-oxidanylidene-heptan-3-yl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[1-[1-(2-chloroacetyl)pentylcarbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[1-[(1-chloro-2-oxoheptan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[(1-chloro-2-oxoheptan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[1-[1-(2-chloroacetyl)pentylcarbamoyl]-3-methyl-butyl]carbamic acid benzyl ester Formula: C21H31ClN2O4 MolecularWeight: 410.93484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)CCl)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCC(C(=O)CCl)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H31ClN2O4/c1-4-5-11-17(19(25)13-22)23-20(26)18(12-15(2)3)24-21(27)28-14-16-9-7-6-8-10-16/h6-10,15,17-18H,4-5,11-14H2,1-3H3,(H,23,26)(H,24,27)