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

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

Systemtic Name:1-[1-benzothiophen-2-yl-(2,4-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
Openeye Name:1-[benzothiophen-2-yl-(2,4-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CAS Name:1-[1-benzothiophen-2-yl-(2,4-dimethylphenyl)methyl]-2-pyrrolidinecarboxylic acid
IUPAC Name:1-[1-benzothiophen-2-yl-(2,4-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
Traditional Name:1-[benzothiophen-2-yl-(2,4-dimethylphenyl)methyl]proline
Formula: C22H23NO2S
MolecularWeight: 365.48852
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC4C(=O)O)C


Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC4C(=O)O)C


InChI

InChI=1S/C22H23NO2S/c1-14-9-10-17(15(2)12-14)21(23-11-5-7-18(23)22(24)25)20-13-16-6-3-4-8-19(16)26-20/h3-4,6,8-10,12-13,18,21H,5,7,11H2,1-2H3,(H,24,25)


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