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

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,6-dimethoxyphenyl)-(3-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,6-dimethoxyphenyl)-(3-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(3-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,6-dimethoxyphenyl)-(3-methyl-2-thienyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=C(C=CC=C2OC)OC)N3CCCC(C3)C(=O)O

InChI

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