[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-4-[(1R)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-4-[(1R)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(1R)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C18H21BrN2O4 MolecularWeight: 409.27434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=C(C(=C(N2)C)C(C)O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=C(C(=C(N2)C)[C@@H](C)O)C)Br

InChI

InChI=1S/C18H21BrN2O4/c1-9-7-13(5-6-14(9)19)21-15(23)8-25-18(24)17-10(2)16(12(4)22)11(3)20-17/h5-7,12,20,22H,8H2,1-4H3,(H,21,23)/t12-/m1/s1