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

Systemtic Name: 3-cyclohexyl-2-[3-(2-dimethylaminoethyl)phenyl]-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-2-[3-(2-dimethylaminoethyl)phenyl]-1-[2-(dimethylamino)-2-oxo-ethyl]indole-6-carboxylic acid CAS Name: 3-cyclohexyl-2-[3-(2-dimethylaminoethyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-2-[3-(2-dimethylaminoethyl)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]indole-6-carboxylic acid Traditional Name: 3-cyclohexyl-2-[3-(2-dimethylaminoethyl)phenyl]-1-[2-(dimethylamino)-2-keto-ethyl]indole-6-carboxylic acid Formula: C29H37N3O3 MolecularWeight: 475.62238

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC=CC(=C1)C2=C(C3=C(N2CC(=O)N(C)C)C=C(C=C3)C(=O)O)C4CCCCC4

Isomeric SMILES

CN(C)CCC1=CC=CC(=C1)C2=C(C3=C(N2CC(=O)N(C)C)C=C(C=C3)C(=O)O)C4CCCCC4

InChI

InChI=1S/C29H37N3O3/c1-30(2)16-15-20-9-8-12-22(17-20)28-27(21-10-6-5-7-11-21)24-14-13-23(29(34)35)18-25(24)32(28)19-26(33)31(3)4/h8-9,12-14,17-18,21H,5-7,10-11,15-16,19H2,1-4H3,(H,34,35)