1-[[3-(2-methoxyphenoxy)phenyl]methyl]-4-[(4-phenylpiperidin-4-yl)carbonylamino]piperidine-4-carboxylic acid

Systemtic Name: 1-[[3-(2-methoxyphenoxy)phenyl]methyl]-4-[(4-phenylpiperidin-4-yl)carbonylamino]piperidine-4-carboxylic acid Openeye Name: 1-[[3-(2-methoxyphenoxy)phenyl]methyl]-4-[(4-phenylpiperidine-4-carbonyl)amino]piperidine-4-carboxylic acid CAS Name: 1-[[3-(2-methoxyphenoxy)phenyl]methyl]-4-[[oxo-(4-phenyl-4-piperidinyl)methyl]amino]-4-piperidinecarboxylic acid IUPAC Name: 1-[[3-(2-methoxyphenoxy)phenyl]methyl]-4-[(4-phenylpiperidine-4-carbonyl)amino]piperidine-4-carboxylic acid Traditional Name: 1-[3-(2-methoxyphenoxy)benzyl]-4-[(4-phenylisonipecotoyl)amino]isonipecotic acid Formula: C32H37N3O5 MolecularWeight: 543.65328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=CC=CC(=C2)CN3CCC(CC3)(C(=O)O)NC(=O)C4(CCNCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1OC2=CC=CC(=C2)CN3CCC(CC3)(C(=O)O)NC(=O)C4(CCNCC4)C5=CC=CC=C5

InChI

InChI=1S/C32H37N3O5/c1-39-27-12-5-6-13-28(27)40-26-11-7-8-24(22-26)23-35-20-16-32(17-21-35,30(37)38)34-29(36)31(14-18-33-19-15-31)25-9-3-2-4-10-25/h2-13,22,33H,14-21,23H2,1H3,(H,34,36)(H,37,38)