4-[2-[[2-(3,5-dimethylpiperidin-1-yl)quinolin-3-yl]carbonylamino]ethyl]-2-methoxy-benzoic acid

Systemtic Name: 4-[2-[[2-(3,5-dimethylpiperidin-1-yl)quinolin-3-yl]carbonylamino]ethyl]-2-methoxy-benzoic acid Openeye Name: 4-[2-[[2-(3,5-dimethyl-1-piperidyl)quinoline-3-carbonyl]amino]ethyl]-2-methoxy-benzoic acid CAS Name: 4-[2-[[[2-(3,5-dimethyl-1-piperidinyl)-3-quinolinyl]-oxomethyl]amino]ethyl]-2-methoxybenzoic acid IUPAC Name: 4-[2-[[2-(3,5-dimethylpiperidin-1-yl)quinoline-3-carbonyl]amino]ethyl]-2-methoxybenzoic acid Traditional Name: 4-[2-[[2-(3,5-dimethylpiperidino)quinoline-3-carbonyl]amino]ethyl]-2-methoxy-benzoic acid Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=CC=CC=C3C=C2C(=O)NCCC4=CC(=C(C=C4)C(=O)O)OC)C

Isomeric SMILES

CC1CC(CN(C1)C2=NC3=CC=CC=C3C=C2C(=O)NCCC4=CC(=C(C=C4)C(=O)O)OC)C

InChI

InChI=1S/C27H31N3O4/c1-17-12-18(2)16-30(15-17)25-22(14-20-6-4-5-7-23(20)29-25)26(31)28-11-10-19-8-9-21(27(32)33)24(13-19)34-3/h4-9,13-14,17-18H,10-12,15-16H2,1-3H3,(H,28,31)(H,32,33)