1-[2-[[1-(2-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]carbonylamino]propanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[[1-(2-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]carbonylamino]propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[[1-(2-methoxyphenyl)-2,5-dimethyl-pyrrole-3-carbonyl]amino]propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[[1-(2-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]amino]-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[[1-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]propanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[1-(2-methoxyphenyl)-2,5-dimethyl-pyrrole-3-carbonyl]amino]propanoyl]isonipecotic acid Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2OC)C)C(=O)NC(C)C(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2OC)C)C(=O)NC(C)C(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C23H29N3O5/c1-14-13-18(16(3)26(14)19-7-5-6-8-20(19)31-4)21(27)24-15(2)22(28)25-11-9-17(10-12-25)23(29)30/h5-8,13,15,17H,9-12H2,1-4H3,(H,24,27)(H,29,30)