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

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-phenylazanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-anilinopropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-anilino-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-anilinopropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-anilinopropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)NC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)NC2=CC=CC=C2)C

InChI

InChI=1S/C18H22N2O3/c1-5-23-18(22)15-11(2)16(20-12(15)3)17(21)13(4)19-14-9-7-6-8-10-14/h6-10,13,19-20H,5H2,1-4H3/t13-/m0/s1