3-cyclohexyl-2-(furan-3-yl)-1-(2-oxidanylidene-2-phenylazanyl-ethyl)indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-2-(furan-3-yl)-1-(2-oxidanylidene-2-phenylazanyl-ethyl)indole-6-carboxylic acid Openeye Name: 1-(2-anilino-2-oxo-ethyl)-3-cyclohexyl-2-(3-furyl)indole-6-carboxylic acid CAS Name: 1-(2-anilino-2-oxoethyl)-3-cyclohexyl-2-(3-furanyl)-6-indolecarboxylic acid IUPAC Name: 1-(2-anilino-2-oxoethyl)-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid Traditional Name: 1-(2-anilino-2-keto-ethyl)-3-cyclohexyl-2-(3-furyl)indole-6-carboxylic acid Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)NC4=CC=CC=C4)C5=COC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)NC4=CC=CC=C4)C5=COC=C5

InChI

InChI=1S/C27H26N2O4/c30-24(28-21-9-5-2-6-10-21)16-29-23-15-19(27(31)32)11-12-22(23)25(18-7-3-1-4-8-18)26(29)20-13-14-33-17-20/h2,5-6,9-15,17-18H,1,3-4,7-8,16H2,(H,28,30)(H,31,32)