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

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(3-methoxyphenyl)methyl]pipecolinic acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5/c1-4-29-20-12-11-17(15-21(20)28-3)22(16-8-7-9-18(14-16)27-2)24-13-6-5-10-19(24)23(25)26/h7-9,11-12,14-15,19,22H,4-6,10,13H2,1-3H3,(H,25,26)