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1-[1-benzothiophen-2-yl-(2,3-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

1-[1-benzothiophen-2-yl-(2,3-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name:1-[1-benzothiophen-2-yl-(2,3-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
Openeye Name:1-[benzothiophen-2-yl-(2,3-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CAS Name:1-[1-benzothiophen-2-yl-(2,3-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid
IUPAC Name:1-[1-benzothiophen-2-yl-(2,3-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
Traditional Name:1-[benzothiophen-2-yl-(2,3-dimethoxyphenyl)methyl]proline
Formula: C22H23NO4S
MolecularWeight: 397.48732
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC3=CC=CC=C3S2)N4CCCC4C(=O)O


Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC3=CC=CC=C3S2)N4CCCC4C(=O)O


InChI

InChI=1S/C22H23NO4S/c1-26-17-10-5-8-15(21(17)27-2)20(23-12-6-9-16(23)22(24)25)19-13-14-7-3-4-11-18(14)28-19/h3-5,7-8,10-11,13,16,20H,6,9,12H2,1-2H3,(H,24,25)


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