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

Systemtic Name: 1-[(3-bromophenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3-bromophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3-bromophenyl)methyl]proline Formula: C27H28BrNO4 MolecularWeight: 510.41952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28BrNO4/c1-2-32-25-17-21(13-14-24(25)33-18-19-8-4-3-5-9-19)26(20-10-6-11-22(28)16-20)29-15-7-12-23(29)27(30)31/h3-6,8-11,13-14,16-17,23,26H,2,7,12,15,18H2,1H3,(H,30,31)