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

Systemtic Name: 3-cyclohexyl-2-(furan-3-yl)-1-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-2-(3-furyl)-1-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-ethyl]indole-6-carboxylic acid CAS Name: 3-cyclohexyl-2-(3-furanyl)-1-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-2-(furan-3-yl)-1-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]indole-6-carboxylic acid Traditional Name: 3-cyclohexyl-2-(3-furyl)-1-[2-keto-2-(4-methyl-1,4-diazepan-1-yl)ethyl]indole-6-carboxylic acid Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=COC=C4)C5CCCCC5

Isomeric SMILES

CN1CCCN(CC1)C(=O)CN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=COC=C4)C5CCCCC5

InChI

InChI=1S/C27H33N3O4/c1-28-11-5-12-29(14-13-28)24(31)17-30-23-16-20(27(32)33)8-9-22(23)25(19-6-3-2-4-7-19)26(30)21-10-15-34-18-21/h8-10,15-16,18-19H,2-7,11-14,17H2,1H3,(H,32,33)