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

Systemtic Name: 1-[1-benzothiophen-2-yl-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(3-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(3-methoxyphenyl)methyl]pipecolinic acid Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=CC3=CC=CC=C3S2)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CC3=CC=CC=C3S2)N4CCCCC4C(=O)O

InChI

InChI=1S/C22H23NO3S/c1-26-17-9-6-8-16(13-17)21(23-12-5-4-10-18(23)22(24)25)20-14-15-7-2-3-11-19(15)27-20/h2-3,6-9,11,13-14,18,21H,4-5,10,12H2,1H3,(H,24,25)