ethyl 3,5-dimethyl-4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(E)-3-(4-isopropylphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[(E)-3-p-cumenylacryloyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C=CC2=CC=C(C=C2)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)/C=C/C2=CC=C(C=C2)C(C)C)C

InChI

InChI=1S/C21H25NO3/c1-6-25-21(24)20-14(4)19(15(5)22-20)18(23)12-9-16-7-10-17(11-8-16)13(2)3/h7-13,22H,6H2,1-5H3/b12-9+