1-[(3-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]isonipecotic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3/c1-23-15-5-2-4-14(12-15)17(16-6-3-9-19-16)20-10-7-13(8-11-20)18(21)22/h2-6,9,12-13,17,19H,7-8,10-11H2,1H3,(H,21,22)