1-[(5-chloranyl-3-methyl-2-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-3-methyl-2-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2-benzyloxy-5-chloro-3-methyl-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-chloro-3-methyl-2-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-chloro-3-methyl-2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-(2-benzoxy-5-chloro-3-methyl-benzyl)proline Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CC=CC=C2)CN3CCCC3C(=O)O)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CC=CC=C2)CN3CCCC3C(=O)O)Cl

InChI

InChI=1S/C20H22ClNO3/c1-14-10-17(21)11-16(12-22-9-5-8-18(22)20(23)24)19(14)25-13-15-6-3-2-4-7-15/h2-4,6-7,10-11,18H,5,8-9,12-13H2,1H3,(H,23,24)