3-cyclohexyl-2-(furan-3-yl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-2-(furan-3-yl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-2-(3-furyl)-1-[2-[methyl-(1-methyl-4-piperidyl)amino]-2-oxo-ethyl]indole-6-carboxylic acid CAS Name: 3-cyclohexyl-2-(3-furanyl)-1-[2-[methyl-(1-methyl-4-piperidinyl)amino]-2-oxoethyl]-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-2-(furan-3-yl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]indole-6-carboxylic acid Traditional Name: 3-cyclohexyl-2-(3-furyl)-1-[2-keto-2-[methyl-(1-methyl-4-piperidyl)amino]ethyl]indole-6-carboxylic acid Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C(=O)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=COC=C4)C5CCCCC5

Isomeric SMILES

CN1CCC(CC1)N(C)C(=O)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=COC=C4)C5CCCCC5

InChI

InChI=1S/C28H35N3O4/c1-29-13-10-22(11-14-29)30(2)25(32)17-31-24-16-20(28(33)34)8-9-23(24)26(19-6-4-3-5-7-19)27(31)21-12-15-35-18-21/h8-9,12,15-16,18-19,22H,3-7,10-11,13-14,17H2,1-2H3,(H,33,34)