1-[1-benzothiophen-2-yl-(5-chloranyl-2-ethoxy-phenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-2-yl-(5-chloranyl-2-ethoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(5-chloro-2-ethoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(5-chloro-2-ethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(5-chloro-2-ethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(5-chloro-2-ethoxy-phenyl)methyl]pipecolinic acid Formula: C23H24ClNO3S MolecularWeight: 429.95956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)C(C2=CC3=CC=CC=C3S2)N4CCCCC4C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)C(C2=CC3=CC=CC=C3S2)N4CCCCC4C(=O)O

InChI

InChI=1S/C23H24ClNO3S/c1-2-28-19-11-10-16(24)14-17(19)22(25-12-6-5-8-18(25)23(26)27)21-13-15-7-3-4-9-20(15)29-21/h3-4,7,9-11,13-14,18,22H,2,5-6,8,12H2,1H3,(H,26,27)