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

Systemtic Name: 4-[(E)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[(E)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(E)-3-(3-hydroxy-4-methoxyphenyl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[(E)-3-(3-hydroxy-4-methoxy-phenyl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5/c1-9-15(10(2)18-16(9)17(21)22)12(19)6-4-11-5-7-14(23-3)13(20)8-11/h4-8,18,20H,1-3H3,(H,21,22)/b6-4+