1-[1H-pyrrol-2-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1H-pyrrol-2-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1H-pyrrol-2-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1H-pyrrol-2-yl-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1H-pyrrol-2-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1H-pyrrol-2-yl-(3,4,5-trimethoxyphenyl)methyl]isonipecotic acid Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC=CN2)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC=CN2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H26N2O5/c1-25-16-11-14(12-17(26-2)19(16)27-3)18(15-5-4-8-21-15)22-9-6-13(7-10-22)20(23)24/h4-5,8,11-13,18,21H,6-7,9-10H2,1-3H3,(H,23,24)