2-(5-chloranyl-2-ethoxycarbonyl-phenyl)-2-(1-methylpyrrolidin-3-yl)ethanoic acid

Systemtic Name: 2-(5-chloranyl-2-ethoxycarbonyl-phenyl)-2-(1-methylpyrrolidin-3-yl)ethanoic acid Openeye Name: 2-(5-chloro-2-ethoxycarbonyl-phenyl)-2-(1-methylpyrrolidin-3-yl)acetic acid CAS Name: 2-(5-chloro-2-ethoxycarbonylphenyl)-2-(1-methyl-3-pyrrolidinyl)acetic acid IUPAC Name: 2-(5-chloro-2-ethoxycarbonylphenyl)-2-(1-methylpyrrolidin-3-yl)acetic acid Traditional Name: 2-(2-carbethoxy-5-chloro-phenyl)-2-(1-methylpyrrolidin-3-yl)acetic acid Formula: C16H20ClNO4 MolecularWeight: 325.7873

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)Cl)C(C2CCN(C2)C)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)Cl)C(C2CCN(C2)C)C(=O)O

InChI

InChI=1S/C16H20ClNO4/c1-3-22-16(21)12-5-4-11(17)8-13(12)14(15(19)20)10-6-7-18(2)9-10/h4-5,8,10,14H,3,6-7,9H2,1-2H3,(H,19,20)