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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-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=CSC3=CC=CC=C32)N4CCCC4C(=O)O

Isomeric SMILES

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

InChI

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