3-cyclohexyl-2-(furan-3-yl)-1-[2-oxidanylidene-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-2-(furan-3-yl)-1-[2-oxidanylidene-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-2-(3-furyl)-1-[2-oxo-2-[4-(1-piperidyl)-1-piperidyl]ethyl]indole-6-carboxylic acid CAS Name: 3-cyclohexyl-2-(3-furanyl)-1-[2-oxo-2-[4-(1-piperidinyl)-1-piperidinyl]ethyl]-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-2-(furan-3-yl)-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indole-6-carboxylic acid Traditional Name: 3-cyclohexyl-2-(3-furyl)-1-[2-keto-2-(4-piperidinopiperidino)ethyl]indole-6-carboxylic acid Formula: C31H39N3O4 MolecularWeight: 517.65906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)N4CCC(CC4)N5CCCCC5)C6=COC=C6

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)N4CCC(CC4)N5CCCCC5)C6=COC=C6

InChI

InChI=1S/C31H39N3O4/c35-28(33-16-11-25(12-17-33)32-14-5-2-6-15-32)20-34-27-19-23(31(36)37)9-10-26(27)29(22-7-3-1-4-8-22)30(34)24-13-18-38-21-24/h9-10,13,18-19,21-22,25H,1-8,11-12,14-17,20H2,(H,36,37)