(E)-1-(1-adamantyl)-3-[(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)amino]prop-2-en-1-one

Systemtic Name: (E)-1-(1-adamantyl)-3-[(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)amino]prop-2-en-1-one Openeye Name: (E)-1-(1-adamantyl)-3-(4-hydroxy-5-isopropyl-2-methyl-anilino)prop-2-en-1-one CAS Name: (E)-1-(1-adamantyl)-3-(4-hydroxy-2-methyl-5-propan-2-ylanilino)-2-propen-1-one IUPAC Name: (E)-1-(1-adamantyl)-3-(4-hydroxy-2-methyl-5-propan-2-ylanilino)prop-2-en-1-one Traditional Name: (E)-1-(1-adamantyl)-3-(4-hydroxy-5-isopropyl-2-methyl-anilino)prop-2-en-1-one Formula: C23H31NO2 MolecularWeight: 353.49774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(C)C)NC=CC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(C)C)N/C=C/C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31NO2/c1-14(2)19-10-20(15(3)6-21(19)25)24-5-4-22(26)23-11-16-7-17(12-23)9-18(8-16)13-23/h4-6,10,14,16-18,24-25H,7-9,11-13H2,1-3H3/b5-4+