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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCCCC3C(=O)O)OC

InChI

InChI=1S/C23H28ClNO5/c1-4-30-21-13-15(8-10-20(21)29-3)22(17-14-16(24)9-11-19(17)28-2)25-12-6-5-7-18(25)23(26)27/h8-11,13-14,18,22H,4-7,12H2,1-3H3,(H,26,27)