ethyl 2,4-dimethyl-5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[4-(isopropylcarbamoylamino)phenyl]methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methylamino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[[4-(isopropylcarbamoylamino)benzyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC2=CC=C(C=C2)NC(=O)NC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC2=CC=C(C=C2)NC(=O)NC(C)C)C

InChI

InChI=1S/C21H28N4O4/c1-6-29-20(27)17-13(4)18(24-14(17)5)19(26)22-11-15-7-9-16(10-8-15)25-21(28)23-12(2)3/h7-10,12,24H,6,11H2,1-5H3,(H,22,26)(H2,23,25,28)