1-[(5-chloranyl-2-ethoxy-phenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-ethoxy-phenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-ethoxy-phenyl)-(m-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-ethoxyphenyl)-(3-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-ethoxyphenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-ethoxy-phenyl)-(m-tolyl)methyl]isonipecotic acid Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO3/c1-3-27-20-8-7-18(23)14-19(20)21(17-6-4-5-15(2)13-17)24-11-9-16(10-12-24)22(25)26/h4-8,13-14,16,21H,3,9-12H2,1-2H3,(H,25,26)