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

Systemtic Name: 1-[(5-chloranyl-2-ethoxy-phenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-ethoxy-phenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-ethoxyphenyl)-(2,4-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-ethoxyphenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-chloro-2-ethoxy-phenyl)-(2,4-dimethoxyphenyl)methyl]nipecotic acid Formula: C23H28ClNO5 MolecularWeight: 433.92512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)C(C2=C(C=C(C=C2)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)C(C2=C(C=C(C=C2)OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C23H28ClNO5/c1-4-30-20-10-7-16(24)12-19(20)22(25-11-5-6-15(14-25)23(26)27)18-9-8-17(28-2)13-21(18)29-3/h7-10,12-13,15,22H,4-6,11,14H2,1-3H3,(H,26,27)