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

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

Systemtic Name:4-[(E)-3-(3-ethoxy-2-propoxy-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
Openeye Name:4-[(E)-3-(3-ethoxy-2-propoxy-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CAS Name:4-[(E)-3-(3-ethoxy-2-propoxyphenyl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
IUPAC Name:4-[(E)-3-(3-ethoxy-2-propoxyphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
Traditional Name:4-[(E)-3-(3-ethoxy-2-propoxy-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:

CCCOC1=C(C=CC=C1OCC)C=CC(=O)C2=C(NC(=C2C)C(=O)O)C


Isomeric SMILES

CCCOC1=C(C=CC=C1OCC)/C=C/C(=O)C2=C(NC(=C2C)C(=O)O)C


InChI

InChI=1S/C21H25NO5/c1-5-12-27-20-15(8-7-9-17(20)26-6-2)10-11-16(23)18-13(3)19(21(24)25)22-14(18)4/h7-11,22H,5-6,12H2,1-4H3,(H,24,25)/b11-10+


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