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1-[1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

1-[1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name:1-[1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
Openeye Name:1-[benzothiophen-3-yl-(2,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CAS Name:1-[1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid
IUPAC Name:1-[1-benzothiophen-3-yl-(2,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
Traditional Name:1-[benzothiophen-3-yl-(2,4-dimethoxyphenyl)methyl]proline
Formula: C22H23NO4S
MolecularWeight: 397.48732
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O)OC


Isomeric SMILES

COC1=CC(=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O)OC


InChI

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


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