1-(1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)piperidine-4-carboxylic acid Openeye Name: 1-(1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)piperidine-4-carboxylic acid CAS Name: 1-(1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)piperidine-4-carboxylic acid Traditional Name: 1-(1,3-benzothiazol-2-yl)-4-(3-methoxyphenyl)isonipecotic acid Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C20H20N2O3S/c1-25-15-6-4-5-14(13-15)20(18(23)24)9-11-22(12-10-20)19-21-16-7-2-3-8-17(16)26-19/h2-8,13H,9-12H2,1H3,(H,23,24)