1-[(5-chloranyl-2-methoxy-phenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]proline Formula: C28H30ClNO5 MolecularWeight: 495.9945

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCCC3C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H30ClNO5/c1-3-34-26-16-20(11-13-25(26)35-18-19-8-5-4-6-9-19)27(30-15-7-10-23(30)28(31)32)22-17-21(29)12-14-24(22)33-2/h4-6,8-9,11-14,16-17,23,27H,3,7,10,15,18H2,1-2H3,(H,31,32)