5-(4-methoxyphenyl)-3-(3-methylbutylamino)cyclohex-2-en-1-one

Systemtic Name: 5-(4-methoxyphenyl)-3-(3-methylbutylamino)cyclohex-2-en-1-one Openeye Name: 3-(isopentylamino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one CAS Name: 5-(4-methoxyphenyl)-3-(3-methylbutylamino)-1-cyclohex-2-enone IUPAC Name: 5-(4-methoxyphenyl)-3-(3-methylbutylamino)cyclohex-2-en-1-one Traditional Name: 3-(isoamylamino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one Formula: C18H25NO2 MolecularWeight: 287.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=CC(=O)CC(C1)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CCNC1=CC(=O)CC(C1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H25NO2/c1-13(2)8-9-19-16-10-15(11-17(20)12-16)14-4-6-18(21-3)7-5-14/h4-7,12-13,15,19H,8-11H2,1-3H3