1-[(5-chloranyl-2-ethoxy-phenyl)-phenyl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-ethoxy-phenyl)-phenyl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-ethoxy-phenyl)-phenyl-methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-ethoxyphenyl)-phenylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-ethoxyphenyl)-phenylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-ethoxy-phenyl)-phenyl-methyl]isonipecotic acid Formula: C21H24ClNO3 MolecularWeight: 373.87316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H24ClNO3/c1-2-26-19-9-8-17(22)14-18(19)20(15-6-4-3-5-7-15)23-12-10-16(11-13-23)21(24)25/h3-9,14,16,20H,2,10-13H2,1H3,(H,24,25)