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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H27NO5S/c1-13-9-18(28-12-13)19(22-8-6-5-7-15(22)21(23)24)14-10-16(25-2)20(27-4)17(11-14)26-3/h9-12,15,19H,5-8H2,1-4H3,(H,23,24)