methyl 2-ethyl-4-methyl-5-[(1-phenylcyclobutyl)methylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-ethyl-4-methyl-5-[(1-phenylcyclobutyl)methylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-4-methyl-5-[(1-phenylcyclobutyl)methylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-4-methyl-5-[oxo-[(1-phenylcyclobutyl)methylamino]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-methyl-5-[(1-phenylcyclobutyl)methylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-4-methyl-5-[(1-phenylcyclobutyl)methylcarbamoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NCC2(CCC2)C3=CC=CC=C3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NCC2(CCC2)C3=CC=CC=C3)C)C(=O)OC

InChI

InChI=1S/C21H26N2O3/c1-4-16-17(20(25)26-3)14(2)18(23-16)19(24)22-13-21(11-8-12-21)15-9-6-5-7-10-15/h5-7,9-10,23H,4,8,11-13H2,1-3H3,(H,22,24)