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

Systemtic Name: 1-[2-[(E)-[(1-ethylpyrrol-2-yl)-phenyl-methylidene]amino]oxyethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[(E)-[(1-ethylpyrrol-2-yl)-phenyl-methylene]amino]oxyethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(E)-[(1-ethyl-2-pyrrolyl)-phenylmethylidene]amino]oxyethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[(E)-[(1-ethylpyrrol-2-yl)-phenylmethylidene]amino]oxyethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(E)-[(1-ethylpyrrol-2-yl)-phenyl-methylene]amino]oxyethyl]nipecotic acid Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC=C1C(=NOCCN2CCCC(C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCN1C=CC=C1/C(=N/OCCN2CCCC(C2)C(=O)O)/C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3/c1-2-24-13-7-11-19(24)20(17-8-4-3-5-9-17)22-27-15-14-23-12-6-10-18(16-23)21(25)26/h3-5,7-9,11,13,18H,2,6,10,12,14-16H2,1H3,(H,25,26)/b22-20+