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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(4-benzyloxy-3-ethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(4-benzoxy-3-ethoxy-phenyl)methyl]proline Formula: C29H29NO4S MolecularWeight: 487.60986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H29NO4S/c1-2-33-26-17-21(14-15-25(26)34-18-20-9-4-3-5-10-20)28(30-16-8-12-24(30)29(31)32)23-19-35-27-13-7-6-11-22(23)27/h3-7,9-11,13-15,17,19,24,28H,2,8,12,16,18H2,1H3,(H,31,32)