2-[[cyclohexyl-[2-(1,2-dihydropyridin-6-ylcarbonylamino)cyclohexyl]methylidene]amino]propanoic acid

Systemtic Name: 2-[[cyclohexyl-[2-(1,2-dihydropyridin-6-ylcarbonylamino)cyclohexyl]methylidene]amino]propanoic acid Openeye Name: 2-[[cyclohexyl-[2-(1,2-dihydropyridine-6-carbonylamino)cyclohexyl]methylene]amino]propanoic acid CAS Name: 2-[[cyclohexyl-[2-[[1,2-dihydropyridin-6-yl(oxo)methyl]amino]cyclohexyl]methylidene]amino]propanoic acid IUPAC Name: 2-[[cyclohexyl-[2-(1,2-dihydropyridine-6-carbonylamino)cyclohexyl]methylidene]amino]propanoic acid Traditional Name: 2-[[cyclohexyl-[2-(1,2-dihydropyridine-6-carbonylamino)cyclohexyl]methylene]amino]propionic acid Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N=C(C1CCCCC1)C2CCCCC2NC(=O)C3=CC=CCN3

Isomeric SMILES

CC(C(=O)O)N=C(C1CCCCC1)C2CCCCC2NC(=O)C3=CC=CCN3

InChI

InChI=1S/C22H33N3O3/c1-15(22(27)28)24-20(16-9-3-2-4-10-16)17-11-5-6-12-18(17)25-21(26)19-13-7-8-14-23-19/h7-8,13,15-18,23H,2-6,9-12,14H2,1H3,(H,25,26)(H,27,28)