(phenylmethyl) N-[1-azanyl-1,5-bis(oxidanylidene)-5-(prop-2-enylamino)pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-azanyl-1,5-bis(oxidanylidene)-5-(prop-2-enylamino)pentan-2-yl]carbamate Openeye Name: benzyl N-[4-(allylamino)-1-carbamoyl-4-oxo-butyl]carbamate CAS Name: N-[1-amino-1,5-dioxo-5-(prop-2-enylamino)pentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-amino-1,5-dioxo-5-(prop-2-enylamino)pentan-2-yl]carbamate Traditional Name: N-[4-(allylamino)-1-carbamoyl-4-keto-butyl]carbamic acid benzyl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CCC(C(=O)N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C=CCNC(=O)CCC(C(=O)N)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H21N3O4/c1-2-10-18-14(20)9-8-13(15(17)21)19-16(22)23-11-12-6-4-3-5-7-12/h2-7,13H,1,8-11H2,(H2,17,21)(H,18,20)(H,19,22)