ethyl 5-[(2S)-2-(4-tert-butylphenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-2-(4-tert-butylphenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-(4-tert-butylphenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-(4-tert-butylphenoxy)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-(4-tert-butylphenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(4-tert-butylphenoxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC2=CC=C(C=C2)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)OC2=CC=C(C=C2)C(C)(C)C)C

InChI

InChI=1S/C22H29NO4/c1-8-26-21(25)18-13(2)19(23-14(18)3)20(24)15(4)27-17-11-9-16(10-12-17)22(5,6)7/h9-12,15,23H,8H2,1-7H3/t15-/m0/s1