(1S,1aS,7bS)-6-bromanyl-1-methyl-1-(4-methylphenyl)carbonyl-1a-piperidin-1-ylcarbonyl-7bH-cyclopropa[c]chromen-2-one

Systemtic Name: (1S,1aS,7bS)-6-bromanyl-1-methyl-1-(4-methylphenyl)carbonyl-1a-piperidin-1-ylcarbonyl-7bH-cyclopropa[c]chromen-2-one Openeye Name: (1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one CAS Name: (1S,1aS,7bS)-6-bromo-1-methyl-1-[(4-methylphenyl)-oxomethyl]-1a-[oxo(1-piperidinyl)methyl]-7bH-cyclopropa[c][1]benzopyran-2-one IUPAC Name: (1S,1aS,7bS)-6-bromo-1-methyl-1-(4-methylbenzoyl)-1a-(piperidine-1-carbonyl)-7bH-cyclopropa[c]chromen-2-one Traditional Name: (1S,1aS,7bS)-6-bromo-1-methyl-1a-(piperidine-1-carbonyl)-1-p-toluoyl-7bH-cyclopropa[c]chromen-2-one Formula: C25H24BrNO4 MolecularWeight: 482.36636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2(C3C2(C(=O)OC4=C3C=C(C=C4)Br)C(=O)N5CCCCC5)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@]2([C@H]3[C@@]2(C(=O)OC4=C3C=C(C=C4)Br)C(=O)N5CCCCC5)C

InChI

InChI=1S/C25H24BrNO4/c1-15-6-8-16(9-7-15)21(28)24(2)20-18-14-17(26)10-11-19(18)31-23(30)25(20,24)22(29)27-12-4-3-5-13-27/h6-11,14,20H,3-5,12-13H2,1-2H3/t20-,24+,25-/m0/s1