1-[(5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-methyl-2-thienyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-methyl-2-thiophenyl)-(2,3,4-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-methylthiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-methyl-2-thienyl)-(2,3,4-trimethoxyphenyl)methyl]nipecotic acid Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=C(C(=C(C=C2)OC)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=C(C(=C(C=C2)OC)OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H27NO5S/c1-13-7-10-17(28-13)18(22-11-5-6-14(12-22)21(23)24)15-8-9-16(25-2)20(27-4)19(15)26-3/h7-10,14,18H,5-6,11-12H2,1-4H3,(H,23,24)