(Z)-2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]but-2-enedioic acid

Systemtic Name: (Z)-2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]but-2-enedioic acid Openeye Name: (Z)-2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]but-2-enedioic acid CAS Name: (Z)-2-[3,5-dimethyl-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-butenedioic acid IUPAC Name: (Z)-2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]but-2-enedioic acid Traditional Name: (Z)-2-[3,5-dimethyl-4-(2-pyrrolidinoethoxy)phenyl]but-2-enedioic acid Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCN2CCCC2)C)C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OCCN2CCCC2)C)/C(=C/C(=O)O)/C(=O)O

InChI

InChI=1S/C18H23NO5/c1-12-9-14(15(18(22)23)11-16(20)21)10-13(2)17(12)24-8-7-19-5-3-4-6-19/h9-11H,3-8H2,1-2H3,(H,20,21)(H,22,23)/b15-11-