2-(3-ethoxycarbonyl-2-methyl-5-phenyl-pyrrol-1-yl)-3-methyl-pentanoic acid

Systemtic Name: 2-(3-ethoxycarbonyl-2-methyl-5-phenyl-pyrrol-1-yl)-3-methyl-pentanoic acid Openeye Name: 2-(3-ethoxycarbonyl-2-methyl-5-phenyl-pyrrol-1-yl)-3-methyl-pentanoic acid CAS Name: 2-(3-ethoxycarbonyl-2-methyl-5-phenyl-1-pyrrolyl)-3-methylpentanoic acid IUPAC Name: 2-(3-ethoxycarbonyl-2-methyl-5-phenylpyrrol-1-yl)-3-methylpentanoic acid Traditional Name: 2-(3-carbethoxy-2-methyl-5-phenyl-pyrrol-1-yl)-3-methyl-valeric acid Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N1C(=C(C=C1C2=CC=CC=C2)C(=O)OCC)C

Isomeric SMILES

CCC(C)C(C(=O)O)N1C(=C(C=C1C2=CC=CC=C2)C(=O)OCC)C

InChI

InChI=1S/C20H25NO4/c1-5-13(3)18(19(22)23)21-14(4)16(20(24)25-6-2)12-17(21)15-10-8-7-9-11-15/h7-13,18H,5-6H2,1-4H3,(H,22,23)