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

Systemtic Name: 2-butanoyl-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-cyclohex-2-en-1-one CAS Name: 3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylamino]-2-(1-oxobutyl)-1-cyclohex-2-enone IUPAC Name: 2-butanoyl-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-cyclohex-2-en-1-one Formula: C28H32N2O3 MolecularWeight: 444.56528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CCCC1=O)NCCC2=C(NC3=C2C=C(C=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CCCC(=O)C1=C(CCCC1=O)NCCC2=C(NC3=C2C=C(C=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C28H32N2O3/c1-3-8-26(31)28-25(11-7-12-27(28)32)29-16-15-22-19(2)30-24-14-13-21(17-23(22)24)33-18-20-9-5-4-6-10-20/h4-6,9-10,13-14,17,29-30H,3,7-8,11-12,15-16,18H2,1-2H3