(E)-3-[3-chloranyl-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-chloranyl-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-chloro-5-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-chloro-5-methoxy-4-(2-pyrrolidinoethoxy)phenyl]acrylic acid Formula: C16H20ClNO4 MolecularWeight: 325.7873

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)Cl)OCCN2CCCC2

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O)Cl)OCCN2CCCC2

InChI

InChI=1S/C16H20ClNO4/c1-21-14-11-12(4-5-15(19)20)10-13(17)16(14)22-9-8-18-6-2-3-7-18/h4-5,10-11H,2-3,6-9H2,1H3,(H,19,20)/b5-4+