methyl 2-ethyl-4-methyl-5-(2-phenylbutylcarbamoyl)-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-ethyl-4-methyl-5-(2-phenylbutylcarbamoyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-4-methyl-5-(2-phenylbutylcarbamoyl)-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-4-methyl-5-[oxo-(2-phenylbutylamino)methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-methyl-5-(2-phenylbutylcarbamoyl)-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-4-methyl-5-(2-phenylbutylcarbamoyl)-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NCC(CC)C2=CC=CC=C2)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NCC(CC)C2=CC=CC=C2)C)C(=O)OC

InChI

InChI=1S/C20H26N2O3/c1-5-14(15-10-8-7-9-11-15)12-21-19(23)18-13(3)17(20(24)25-4)16(6-2)22-18/h7-11,14,22H,5-6,12H2,1-4H3,(H,21,23)