1-[(5-bromanyl-2-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]proline Formula: C22H26BrNO6 MolecularWeight: 480.34894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCC3C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCC3C(=O)O

InChI

InChI=1S/C22H26BrNO6/c1-27-17-8-7-14(23)12-15(17)20(24-9-5-6-16(24)22(25)26)13-10-18(28-2)21(30-4)19(11-13)29-3/h7-8,10-12,16,20H,5-6,9H2,1-4H3,(H,25,26)