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

Systemtic Name: 1-[1-benzothiophen-2-yl-(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(3-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(3-methoxyphenyl)methyl]proline Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC4C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC4C(=O)O

InChI

InChI=1S/C21H21NO3S/c1-25-16-8-4-7-15(12-16)20(22-11-5-9-17(22)21(23)24)19-13-14-6-2-3-10-18(14)26-19/h2-4,6-8,10,12-13,17,20H,5,9,11H2,1H3,(H,23,24)