2-butanoyl-5,5-dimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one

Systemtic Name: 2-butanoyl-5,5-dimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one Openeye Name: 3-[2-(5-benzyloxy-2-methyl-1H-indol-3-yl)ethylamino]-2-butanoyl-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 5,5-dimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylamino]-2-(1-oxobutyl)-1-cyclohex-2-enone IUPAC Name: 2-butanoyl-5,5-dimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylamino]cyclohex-2-en-1-one Traditional Name: 3-[2-(5-benzoxy-2-methyl-1H-indol-3-yl)ethylamino]-2-butyryl-5,5-dimethyl-cyclohex-2-en-1-one Formula: C30H36N2O3 MolecularWeight: 472.61844

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(CC1=O)(C)C)NCCC2=C(NC3=C2C=C(C=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CCCC(=O)C1=C(CC(CC1=O)(C)C)NCCC2=C(NC3=C2C=C(C=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C30H36N2O3/c1-5-9-27(33)29-26(17-30(3,4)18-28(29)34)31-15-14-23-20(2)32-25-13-12-22(16-24(23)25)35-19-21-10-7-6-8-11-21/h6-8,10-13,16,31-32H,5,9,14-15,17-19H2,1-4H3