[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-phenylethanoylamino)propanoate

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-phenylethanoylamino)propanoate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 3-[(2-phenylacetyl)amino]propanoate CAS Name: 3-[(1-oxo-2-phenylethyl)amino]propanoic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate Traditional Name: 3-[(2-phenylacetyl)amino]propionic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCNC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCNC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H21BrN2O4/c1-14-11-16(21)7-8-17(14)23-19(25)13-27-20(26)9-10-22-18(24)12-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,22,24)(H,23,25)