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

Systemtic Name: 5,5-dimethyl-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]-5,5-dimethyl-2-pentanoyl-cyclohex-2-en-1-one CAS Name: 5,5-dimethyl-3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylamino]-2-(1-oxopentyl)-1-cyclohex-2-enone IUPAC Name: 5,5-dimethyl-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]-5,5-dimethyl-2-valeryl-cyclohex-2-en-1-one Formula: C31H38N2O3 MolecularWeight: 486.64502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38N2O3/c1-5-6-12-28(34)30-27(18-31(3,4)19-29(30)35)32-16-15-24-21(2)33-26-14-13-23(17-25(24)26)36-20-22-10-8-7-9-11-22/h7-11,13-14,17,32-33H,5-6,12,15-16,18-20H2,1-4H3