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

Systemtic Name: 1-[(3,4-diethoxyphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(4-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(4-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(4-methyl-2-thienyl)methyl]nipecotic acid Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC(=CS2)C)N3CCCC(C3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC(=CS2)C)N3CCCC(C3)C(=O)O)OCC

InChI

InChI=1S/C22H29NO4S/c1-4-26-18-9-8-16(12-19(18)27-5-2)21(20-11-15(3)14-28-20)23-10-6-7-17(13-23)22(24)25/h8-9,11-12,14,17,21H,4-7,10,13H2,1-3H3,(H,24,25)