2,6,6-trimethyl-5-oxidanyl-4-(4-phenylbutylamino)cyclohept-2-en-1-one

Systemtic Name: 2,6,6-trimethyl-5-oxidanyl-4-(4-phenylbutylamino)cyclohept-2-en-1-one Openeye Name: 5-hydroxy-2,6,6-trimethyl-4-(4-phenylbutylamino)cyclohept-2-en-1-one CAS Name: 5-hydroxy-2,6,6-trimethyl-4-(4-phenylbutylamino)-1-cyclohept-2-enone IUPAC Name: 5-hydroxy-2,6,6-trimethyl-4-(4-phenylbutylamino)cyclohept-2-en-1-one Traditional Name: 5-hydroxy-2,6,6-trimethyl-4-(4-phenylbutylamino)cyclohept-2-en-1-one Formula: C20H29NO2 MolecularWeight: 315.44976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C(CC1=O)(C)C)O)NCCCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(C(C(CC1=O)(C)C)O)NCCCCC2=CC=CC=C2

InChI

InChI=1S/C20H29NO2/c1-15-13-17(19(23)20(2,3)14-18(15)22)21-12-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,13,17,19,21,23H,7-8,11-12,14H2,1-3H3