3-cyclohexyl-2-(furan-3-yl)-7-methyl-1-[2-oxidanylidene-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-2-(furan-3-yl)-7-methyl-1-[2-oxidanylidene-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-2-(3-furyl)-7-methyl-1-[2-oxo-2-(4-pyrrolidin-1-yl-1-piperidyl)ethyl]indole-6-carboxylic acid CAS Name: 3-cyclohexyl-2-(3-furanyl)-7-methyl-1-[2-oxo-2-[4-(1-pyrrolidinyl)-1-piperidinyl]ethyl]-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-2-(furan-3-yl)-7-methyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indole-6-carboxylic acid Traditional Name: 3-cyclohexyl-2-(3-furyl)-1-[2-keto-2-(4-pyrrolidinopiperidino)ethyl]-7-methyl-indole-6-carboxylic acid Formula: C31H39N3O4 MolecularWeight: 517.65906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C(=C2C3CCCCC3)C4=COC=C4)CC(=O)N5CCC(CC5)N6CCCC6)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1N(C(=C2C3CCCCC3)C4=COC=C4)CC(=O)N5CCC(CC5)N6CCCC6)C(=O)O

InChI

InChI=1S/C31H39N3O4/c1-21-25(31(36)37)9-10-26-28(22-7-3-2-4-8-22)30(23-13-18-38-20-23)34(29(21)26)19-27(35)33-16-11-24(12-17-33)32-14-5-6-15-32/h9-10,13,18,20,22,24H,2-8,11-12,14-17,19H2,1H3,(H,36,37)