3-cyclohexyl-1-[2-(2-dimethylaminoethylamino)-2-oxidanylidene-ethyl]-2-phenyl-indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-[2-(2-dimethylaminoethylamino)-2-oxidanylidene-ethyl]-2-phenyl-indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-1-[2-(2-dimethylaminoethylamino)-2-oxo-ethyl]-2-phenyl-indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[2-(2-dimethylaminoethylamino)-2-oxoethyl]-2-phenyl-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-[2-(2-dimethylaminoethylamino)-2-oxoethyl]-2-phenylindole-6-carboxylic acid Traditional Name: 3-cyclohexyl-1-[2-(2-dimethylaminoethylamino)-2-keto-ethyl]-2-phenyl-indole-6-carboxylic acid Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CN(C)CCNC(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C27H33N3O3/c1-29(2)16-15-28-24(31)18-30-23-17-21(27(32)33)13-14-22(23)25(19-9-5-3-6-10-19)26(30)20-11-7-4-8-12-20/h4,7-8,11-14,17,19H,3,5-6,9-10,15-16,18H2,1-2H3,(H,28,31)(H,32,33)