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

Systemtic Name: 1-[(5-ethylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-ethyl-2-thienyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-ethyl-2-thiophenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylthiophen-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-ethyl-2-thienyl)-(3,4,5-trimethoxyphenyl)methyl]nipecotic acid Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C22H29NO5S/c1-5-16-8-9-19(29-16)20(23-10-6-7-14(13-23)22(24)25)15-11-17(26-2)21(28-4)18(12-15)27-3/h8-9,11-12,14,20H,5-7,10,13H2,1-4H3,(H,24,25)