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

Systemtic Name: 1-[(4-acetamidophenyl)-(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-acetamidophenyl)-(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-acetamidophenyl)-(1H-pyrrol-2-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-acetamidophenyl)-(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-acetamidophenyl)-(1H-pyrrol-2-yl)methyl]isonipecotic acid Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(C2=CC=CN2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(C2=CC=CN2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H23N3O3/c1-13(23)21-16-6-4-14(5-7-16)18(17-3-2-10-20-17)22-11-8-15(9-12-22)19(24)25/h2-7,10,15,18,20H,8-9,11-12H2,1H3,(H,21,23)(H,24,25)