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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(3-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(3-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(3-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(3-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-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=CC(=C(C=C2)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

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

InChI

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