1-[2-[(E)-[(1-methylpyrrol-2-yl)-phenyl-methylidene]amino]oxyethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[(E)-[(1-methylpyrrol-2-yl)-phenyl-methylidene]amino]oxyethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[(E)-[(1-methylpyrrol-2-yl)-phenyl-methylene]amino]oxyethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(E)-[(1-methyl-2-pyrrolyl)-phenylmethylidene]amino]oxyethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[(E)-[(1-methylpyrrol-2-yl)-phenylmethylidene]amino]oxyethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(E)-[(1-methylpyrrol-2-yl)-phenyl-methylene]amino]oxyethyl]nipecotic acid Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=NOCCN2CCCC(C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1/C(=N/OCCN2CCCC(C2)C(=O)O)/C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3/c1-22-11-6-10-18(22)19(16-7-3-2-4-8-16)21-26-14-13-23-12-5-9-17(15-23)20(24)25/h2-4,6-8,10-11,17H,5,9,12-15H2,1H3,(H,24,25)/b21-19+