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

Systemtic Name: 3-[5-(2-aminophenyl)-3-ethoxycarbonyl-2-methyl-pyrrol-1-yl]propanoic acid Openeye Name: 3-[5-(2-aminophenyl)-3-ethoxycarbonyl-2-methyl-pyrrol-1-yl]propanoic acid CAS Name: 3-[5-(2-aminophenyl)-3-ethoxycarbonyl-2-methyl-1-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(2-aminophenyl)-3-ethoxycarbonyl-2-methylpyrrol-1-yl]propanoic acid Traditional Name: 3-[5-(2-aminophenyl)-3-carbethoxy-2-methyl-pyrrol-1-yl]propionic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2N)CCC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2N)CCC(=O)O)C

InChI

InChI=1S/C17H20N2O4/c1-3-23-17(22)13-10-15(12-6-4-5-7-14(12)18)19(11(13)2)9-8-16(20)21/h4-7,10H,3,8-9,18H2,1-2H3,(H,20,21)