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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC3=CC=CC=C3S2)N4CCCC4C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC3=CC=CC=C3S2)N4CCCC4C(=O)O

InChI

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