[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(phenylmethyl)carbamoylamino]ethanoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(phenylmethyl)carbamoylamino]ethanoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(benzylcarbamoylamino)acetate CAS Name: 2-[[oxo-[(phenylmethyl)amino]methyl]amino]acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-(benzylcarbamoylamino)acetate Traditional Name: 2-(benzylcarbamoylamino)acetic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CNC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CNC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O4/c1-4-10-24-15(2)11-18(16(24)3)19(25)14-28-20(26)13-23-21(27)22-12-17-8-6-5-7-9-17/h4-9,11H,1,10,12-14H2,2-3H3,(H2,22,23,27)