3-[2-[(4-methoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)carbonyl]phenyl]propanoic acid

Systemtic Name: 3-[2-[(4-methoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)carbonyl]phenyl]propanoic acid Openeye Name: 3-[2-(4-methoxycarbonyl-2,5-dimethyl-1H-pyrrole-3-carbonyl)phenyl]propanoic acid CAS Name: 3-[2-[(4-methoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[2-(4-methoxycarbonyl-2,5-dimethyl-1H-pyrrole-3-carbonyl)phenyl]propanoic acid Traditional Name: 3-[2-(4-carbomethoxy-2,5-dimethyl-1H-pyrrole-3-carbonyl)phenyl]propionic acid Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=CC=CC=C2CCC(=O)O

Isomeric SMILES

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=CC=CC=C2CCC(=O)O

InChI

InChI=1S/C18H19NO5/c1-10-15(16(11(2)19-10)18(23)24-3)17(22)13-7-5-4-6-12(13)8-9-14(20)21/h4-7,19H,8-9H2,1-3H3,(H,20,21)