3-[3-ethoxycarbonyl-2-methyl-5-(4-methylphenyl)pyrrol-1-yl]propanoic acid

Systemtic Name: 3-[3-ethoxycarbonyl-2-methyl-5-(4-methylphenyl)pyrrol-1-yl]propanoic acid Openeye Name: 3-[3-ethoxycarbonyl-2-methyl-5-(p-tolyl)pyrrol-1-yl]propanoic acid CAS Name: 3-[3-ethoxycarbonyl-2-methyl-5-(4-methylphenyl)-1-pyrrolyl]propanoic acid IUPAC Name: 3-[3-ethoxycarbonyl-2-methyl-5-(4-methylphenyl)pyrrol-1-yl]propanoic acid Traditional Name: 3-[3-carbethoxy-2-methyl-5-(p-tolyl)pyrrol-1-yl]propionic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)C)CCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)C)CCC(=O)O)C

InChI

InChI=1S/C18H21NO4/c1-4-23-18(22)15-11-16(14-7-5-12(2)6-8-14)19(13(15)3)10-9-17(20)21/h5-8,11H,4,9-10H2,1-3H3,(H,20,21)