[4-[(3E)-2-azanylocta-3,7-dien-2-yl]oxy-2-oxidanyl-phenyl]-(4-bromophenyl)methanone

Systemtic Name: [4-[(3E)-2-azanylocta-3,7-dien-2-yl]oxy-2-oxidanyl-phenyl]-(4-bromophenyl)methanone Openeye Name: [4-[(2E)-1-amino-1-methyl-hepta-2,6-dienoxy]-2-hydroxy-phenyl]-(4-bromophenyl)methanone CAS Name: [4-[(3E)-2-aminoocta-3,7-dien-2-yl]oxy-2-hydroxyphenyl]-(4-bromophenyl)methanone IUPAC Name: [4-[(3E)-2-aminoocta-3,7-dien-2-yl]oxy-2-hydroxyphenyl]-(4-bromophenyl)methanone Traditional Name: [4-[(2E)-1-amino-1-methyl-hepta-2,6-dienoxy]-2-hydroxy-phenyl]-(4-bromophenyl)methanone Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CCCC=C)(N)OC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Br)O

Isomeric SMILES

CC(/C=C/CCC=C)(N)OC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C21H22BrNO3/c1-3-4-5-6-13-21(2,23)26-17-11-12-18(19(24)14-17)20(25)15-7-9-16(22)10-8-15/h3,6-14,24H,1,4-5,23H2,2H3/b13-6+