(phenylmethyl) N-[3-(3-methoxy-4-oxidanyl-phenyl)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[3-(3-methoxy-4-oxidanyl-phenyl)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]carbamate Openeye Name: benzyl N-[2-(allylamino)-1-[(4-hydroxy-3-methoxy-phenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-1-(prop-2-enylamino)propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-1-(prop-2-enylamino)propan-2-yl]carbamate Traditional Name: N-[2-(allylamino)-2-keto-1-vanillyl-ethyl]carbamic acid benzyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(C(=O)NCC=C)NC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC(C(=O)NCC=C)NC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C21H24N2O5/c1-3-11-22-20(25)17(12-16-9-10-18(24)19(13-16)27-2)23-21(26)28-14-15-7-5-4-6-8-15/h3-10,13,17,24H,1,11-12,14H2,2H3,(H,22,25)(H,23,26)