2-[4-(dimethylamino)-2-ethoxycarbonyl-phenyl]-2-(1-methylpyrrolidin-3-yl)ethanoic acid

Systemtic Name: 2-[4-(dimethylamino)-2-ethoxycarbonyl-phenyl]-2-(1-methylpyrrolidin-3-yl)ethanoic acid Openeye Name: 2-[4-(dimethylamino)-2-ethoxycarbonyl-phenyl]-2-(1-methylpyrrolidin-3-yl)acetic acid CAS Name: 2-[4-(dimethylamino)-2-ethoxycarbonylphenyl]-2-(1-methyl-3-pyrrolidinyl)acetic acid IUPAC Name: 2-[4-(dimethylamino)-2-ethoxycarbonylphenyl]-2-(1-methylpyrrolidin-3-yl)acetic acid Traditional Name: 2-[2-carbethoxy-4-(dimethylamino)phenyl]-2-(1-methylpyrrolidin-3-yl)acetic acid Formula: C18H26N2O4 MolecularWeight: 334.41004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)N(C)C)C(C2CCN(C2)C)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)N(C)C)C(C2CCN(C2)C)C(=O)O

InChI

InChI=1S/C18H26N2O4/c1-5-24-18(23)15-10-13(19(2)3)6-7-14(15)16(17(21)22)12-8-9-20(4)11-12/h6-7,10,12,16H,5,8-9,11H2,1-4H3,(H,21,22)