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

Systemtic Name: 3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylamino]-2-propanoyl-cyclohex-2-en-1-one Openeye Name: 3-[2-(5-benzyloxy-2-methyl-1H-indol-3-yl)ethylamino]-2-propanoyl-cyclohex-2-en-1-one CAS Name: 3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylamino]-2-(1-oxopropyl)-1-cyclohex-2-enone IUPAC Name: 3-[2-(2-methyl-5-phenylmethoxy-1H-indol-3-yl)ethylamino]-2-propanoylcyclohex-2-en-1-one Traditional Name: 3-[2-(5-benzoxy-2-methyl-1H-indol-3-yl)ethylamino]-2-propionyl-cyclohex-2-en-1-one Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O3/c1-3-25(30)27-24(10-7-11-26(27)31)28-15-14-21-18(2)29-23-13-12-20(16-22(21)23)32-17-19-8-5-4-6-9-19/h4-6,8-9,12-13,16,28-29H,3,7,10-11,14-15,17H2,1-2H3