methyl 2-ethyl-4-methyl-5-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-ethyl-4-methyl-5-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-4-methyl-5-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-4-methyl-5-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-methyl-5-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-5-[[4-(isovalerylamino)phenyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NC2=CC=C(C=C2)NC(=O)CC(C)C)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NC2=CC=C(C=C2)NC(=O)CC(C)C)C)C(=O)OC

InChI

InChI=1S/C21H27N3O4/c1-6-16-18(21(27)28-5)13(4)19(24-16)20(26)23-15-9-7-14(8-10-15)22-17(25)11-12(2)3/h7-10,12,24H,6,11H2,1-5H3,(H,22,25)(H,23,26)