1-[(4-acetamidophenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-acetamidophenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-acetamidophenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-acetamidophenyl)-(1-methyl-2-pyrrolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-acetamidophenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-acetamidophenyl)-(1-methylpyrrol-2-yl)methyl]isonipecotic acid Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(C2=CC=CN2C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(C2=CC=CN2C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H25N3O3/c1-14(24)21-17-7-5-15(6-8-17)19(18-4-3-11-22(18)2)23-12-9-16(10-13-23)20(25)26/h3-8,11,16,19H,9-10,12-13H2,1-2H3,(H,21,24)(H,25,26)