methyl 5-[(2S)-2-[(3-iodanyl-4-methyl-phenyl)amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[(2S)-2-[(3-iodanyl-4-methyl-phenyl)amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2S)-2-(3-iodo-4-methyl-anilino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-(3-iodo-4-methylanilino)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2S)-2-(3-iodo-4-methylanilino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(3-iodo-4-methyl-anilino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H21IN2O3 MolecularWeight: 440.27541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)OC)C)I

InChI

InChI=1S/C18H21IN2O3/c1-9-6-7-13(8-14(9)19)20-12(4)17(22)16-10(2)15(11(3)21-16)18(23)24-5/h6-8,12,20-21H,1-5H3/t12-/m0/s1