ethyl 5-tert-butyl-2-methyl-1-(4-morpholin-4-ylphenyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 5-tert-butyl-2-methyl-1-(4-morpholin-4-ylphenyl)pyrrole-3-carboxylate Openeye Name: ethyl 5-tert-butyl-2-methyl-1-(4-morpholinophenyl)pyrrole-3-carboxylate CAS Name: 5-tert-butyl-2-methyl-1-[4-(4-morpholinyl)phenyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-tert-butyl-2-methyl-1-(4-morpholin-4-ylphenyl)pyrrole-3-carboxylate Traditional Name: 5-tert-butyl-2-methyl-1-(4-morpholinophenyl)pyrrole-3-carboxylic acid ethyl ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C(C)(C)C)C2=CC=C(C=C2)N3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C(C)(C)C)C2=CC=C(C=C2)N3CCOCC3)C

InChI

InChI=1S/C22H30N2O3/c1-6-27-21(25)19-15-20(22(3,4)5)24(16(19)2)18-9-7-17(8-10-18)23-11-13-26-14-12-23/h7-10,15H,6,11-14H2,1-5H3