3-methylbutyl 6-bromanyl-1-(4-chlorophenyl)carbonyl-1-ethyl-2-oxidanylidene-7bH-cyclopropa[c]chromene-1a-carboxylate

Systemtic Name: 3-methylbutyl 6-bromanyl-1-(4-chlorophenyl)carbonyl-1-ethyl-2-oxidanylidene-7bH-cyclopropa[c]chromene-1a-carboxylate Openeye Name: isopentyl 6-bromo-1-(4-chlorobenzoyl)-1-ethyl-2-oxo-7bH-cyclopropa[c]chromene-1a-carboxylate CAS Name: 6-bromo-1-[(4-chlorophenyl)-oxomethyl]-1-ethyl-2-oxo-7bH-cyclopropa[c][1]benzopyran-1a-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 6-bromo-1-(4-chlorobenzoyl)-1-ethyl-2-oxo-7bH-cyclopropa[c]chromene-1a-carboxylate Traditional Name: 6-bromo-1-(4-chlorobenzoyl)-1-ethyl-2-keto-7bH-cyclopropa[c]chromene-1a-carboxylic acid isoamyl ester Formula: C25H24BrClO5 MolecularWeight: 519.81206

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2C1(C(=O)OC3=C2C=C(C=C3)Br)C(=O)OCCC(C)C)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1(C2C1(C(=O)OC3=C2C=C(C=C3)Br)C(=O)OCCC(C)C)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H24BrClO5/c1-4-24(21(28)15-5-8-17(27)9-6-15)20-18-13-16(26)7-10-19(18)32-23(30)25(20,24)22(29)31-12-11-14(2)3/h5-10,13-14,20H,4,11-12H2,1-3H3