methyl 5-[[3-(imidazol-1-ylmethyl)phenyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[[3-(imidazol-1-ylmethyl)phenyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[[3-(imidazol-1-ylmethyl)phenyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[3-(1-imidazolylmethyl)anilino]-oxomethyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(imidazol-1-ylmethyl)phenyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[3-(imidazol-1-ylmethyl)phenyl]carbamoyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=C1C(=O)OC)C)C(=O)NC2=CC=CC(=C2)CN3C=CN=C3

Isomeric SMILES

CCCC1=C(NC(=C1C(=O)OC)C)C(=O)NC2=CC=CC(=C2)CN3C=CN=C3

InChI

InChI=1S/C21H24N4O3/c1-4-6-17-18(21(27)28-3)14(2)23-19(17)20(26)24-16-8-5-7-15(11-16)12-25-10-9-22-13-25/h5,7-11,13,23H,4,6,12H2,1-3H3,(H,24,26)