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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClNO5/c1-4-30-21-13-16(5-7-20(21)29-3)22(18-14-17(24)6-8-19(18)28-2)25-11-9-15(10-12-25)23(26)27/h5-8,13-15,22H,4,9-12H2,1-3H3,(H,26,27)