1-[(4-dimethylaminophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(4-dimethylaminophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(5-ethyl-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(5-ethyl-2-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-(5-ethylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(5-ethyl-2-thienyl)methyl]pipecolinic acid Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC=C(C=C2)N(C)C)N3CCCCC3C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC=C(C=C2)N(C)C)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H28N2O2S/c1-4-17-12-13-19(26-17)20(15-8-10-16(11-9-15)22(2)3)23-14-6-5-7-18(23)21(24)25/h8-13,18,20H,4-7,14H2,1-3H3,(H,24,25)