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

Systemtic Name: 3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylamino]-2-pentanoyl-cyclohex-2-en-1-one Openeye Name: 3-[2-(5-benzyloxy-2-methyl-1H-indol-3-yl)ethylamino]-2-pentanoyl-cyclohex-2-en-1-one CAS Name: 3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylamino]-2-(1-oxopentyl)-1-cyclohex-2-enone IUPAC Name: 3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylamino]-2-pentanoylcyclohex-2-en-1-one Traditional Name: 3-[2-(5-benzoxy-2-methyl-1H-indol-3-yl)ethylamino]-2-valeryl-cyclohex-2-en-1-one Formula: C29H34N2O3 MolecularWeight: 458.59186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O3/c1-3-4-12-27(32)29-26(11-8-13-28(29)33)30-17-16-23-20(2)31-25-15-14-22(18-24(23)25)34-19-21-9-6-5-7-10-21/h5-7,9-10,14-15,18,30-31H,3-4,8,11-13,16-17,19H2,1-2H3