1-[(2,6-dimethoxyphenyl)-(3-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(3-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,6-dimethoxyphenyl)-(3-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(3-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(3-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,6-dimethoxyphenyl)-(3-methyl-2-thienyl)methyl]isonipecotic acid Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=C(C=CC=C2OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=C(C=CC=C2OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H25NO4S/c1-13-9-12-26-19(13)18(21-10-7-14(8-11-21)20(22)23)17-15(24-2)5-4-6-16(17)25-3/h4-6,9,12,14,18H,7-8,10-11H2,1-3H3,(H,22,23)