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

Systemtic Name: 1-[(1-methylpyrrol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-methylpyrrol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(1-methyl-2-pyrrolyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-methylpyrrol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-methylpyrrol-2-yl)-(3,4,5-trimethoxyphenyl)methyl]isonipecotic acid Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN1C=CC=C1C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H28N2O5/c1-22-9-5-6-16(22)19(23-10-7-14(8-11-23)21(24)25)15-12-17(26-2)20(28-4)18(13-15)27-3/h5-6,9,12-14,19H,7-8,10-11H2,1-4H3,(H,24,25)