4-[(E)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[(E)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[(E)-3-(3-isobutoxy-4-methoxy-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(E)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[(E)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[(E)-3-(3-isobutoxy-4-methoxy-phenyl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C=CC2=CC(=C(C=C2)OC)OCC(C)C)C)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1C(=O)/C=C/C2=CC(=C(C=C2)OC)OCC(C)C)C)C(=O)O

InChI

InChI=1S/C21H25NO5/c1-12(2)11-27-18-10-15(7-9-17(18)26-5)6-8-16(23)19-13(3)20(21(24)25)22-14(19)4/h6-10,12,22H,11H2,1-5H3,(H,24,25)/b8-6+