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

Systemtic Name: 1-[(4-bromophenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(4-bromophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(4-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=C(C=C2)Br)N3CCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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