1-[(2-chloranyl-4-octoxy-phenyl)methyl]pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[(2-chloranyl-4-octoxy-phenyl)methyl]pyrrolidine-3-carboxylic acid Openeye Name: 1-[(2-chloro-4-octoxy-phenyl)methyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[(2-chloro-4-octoxyphenyl)methyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-chloro-4-octoxyphenyl)methyl]pyrrolidine-3-carboxylic acid Traditional Name: 1-(2-chloro-4-octoxy-benzyl)pyrrolidine-3-carboxylic acid Formula: C20H30ClNO3 MolecularWeight: 367.9101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)CN2CCC(C2)C(=O)O)Cl

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)CN2CCC(C2)C(=O)O)Cl

InChI

InChI=1S/C20H30ClNO3/c1-2-3-4-5-6-7-12-25-18-9-8-16(19(21)13-18)14-22-11-10-17(15-22)20(23)24/h8-9,13,17H,2-7,10-12,14-15H2,1H3,(H,23,24)