2-[[3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indol-6-yl]carbonylamino]-2-methyl-propanoic acid

Systemtic Name: 2-[[3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indol-6-yl]carbonylamino]-2-methyl-propanoic acid Openeye Name: 2-[[3-cyclohexyl-2-(3-furyl)-1-(2-morpholino-2-oxo-ethyl)indole-6-carbonyl]amino]-2-methyl-propanoic acid CAS Name: 2-[[[3-cyclohexyl-2-(3-furanyl)-1-[2-(4-morpholinyl)-2-oxoethyl]-6-indolyl]-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carbonyl]amino]-2-methylpropanoic acid Traditional Name: 2-[[3-cyclohexyl-2-(3-furyl)-1-(2-keto-2-morpholino-ethyl)indole-6-carbonyl]amino]-2-methyl-propionic acid Formula: C29H35N3O6 MolecularWeight: 521.6047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NC(=O)C1=CC2=C(C=C1)C(=C(N2CC(=O)N3CCOCC3)C4=COC=C4)C5CCCCC5

Isomeric SMILES

CC(C)(C(=O)O)NC(=O)C1=CC2=C(C=C1)C(=C(N2CC(=O)N3CCOCC3)C4=COC=C4)C5CCCCC5

InChI

InChI=1S/C29H35N3O6/c1-29(2,28(35)36)30-27(34)20-8-9-22-23(16-20)32(17-24(33)31-11-14-37-15-12-31)26(21-10-13-38-18-21)25(22)19-6-4-3-5-7-19/h8-10,13,16,18-19H,3-7,11-12,14-15,17H2,1-2H3,(H,30,34)(H,35,36)