3-[2-(3,4-diethoxyphenyl)ethylamino]-2-pentanoyl-5-phenyl-cyclohex-2-en-1-one

Systemtic Name: 3-[2-(3,4-diethoxyphenyl)ethylamino]-2-pentanoyl-5-phenyl-cyclohex-2-en-1-one Openeye Name: 3-[2-(3,4-diethoxyphenyl)ethylamino]-2-pentanoyl-5-phenyl-cyclohex-2-en-1-one CAS Name: 3-[2-(3,4-diethoxyphenyl)ethylamino]-2-(1-oxopentyl)-5-phenyl-1-cyclohex-2-enone IUPAC Name: 3-[2-(3,4-diethoxyphenyl)ethylamino]-2-pentanoyl-5-phenylcyclohex-2-en-1-one Traditional Name: 3-[2-(3,4-diethoxyphenyl)ethylamino]-5-phenyl-2-valeryl-cyclohex-2-en-1-one Formula: C29H37NO4 MolecularWeight: 463.60838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)NCCC3=CC(=C(C=C3)OCC)OCC

Isomeric SMILES

CCCCC(=O)C1=C(CC(CC1=O)C2=CC=CC=C2)NCCC3=CC(=C(C=C3)OCC)OCC

InChI

InChI=1S/C29H37NO4/c1-4-7-13-25(31)29-24(19-23(20-26(29)32)22-11-9-8-10-12-22)30-17-16-21-14-15-27(33-5-2)28(18-21)34-6-3/h8-12,14-15,18,23,30H,4-7,13,16-17,19-20H2,1-3H3