1-[(5-chloranyl-2-methoxy-phenyl)-(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(1H-pyrrol-2-yl)methyl]isonipecotic acid Formula: C18H21ClN2O3 MolecularWeight: 348.82394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CC=CN2)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC=CN2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H21ClN2O3/c1-24-16-5-4-13(19)11-14(16)17(15-3-2-8-20-15)21-9-6-12(7-10-21)18(22)23/h2-5,8,11-12,17,20H,6-7,9-10H2,1H3,(H,22,23)