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

Systemtic Name: 3-[5-ethoxycarbonyl-4-methyl-2-(phenylazanylmethyl)-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[2-(anilinomethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[2-(anilinomethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[2-(anilinomethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[2-(anilinomethyl)-5-carbethoxy-4-methyl-1H-pyrrol-3-yl]propionic acid Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)CNC2=CC=CC=C2)CCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)CNC2=CC=CC=C2)CCC(=O)O)C

InChI

InChI=1S/C18H22N2O4/c1-3-24-18(23)17-12(2)14(9-10-16(21)22)15(20-17)11-19-13-7-5-4-6-8-13/h4-8,19-20H,3,9-11H2,1-2H3,(H,21,22)