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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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