1,3-benzodioxol-5-yl-[(1S,2S)-2-(5-bromanyl-1-methyl-indol-3-yl)cyclopropyl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(1S,2S)-2-(5-bromanyl-1-methyl-indol-3-yl)cyclopropyl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(1S,2S)-2-(5-bromo-1-methyl-indol-3-yl)cyclopropyl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(1S,2S)-2-(5-bromo-1-methyl-3-indolyl)cyclopropyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(1S,2S)-2-(5-bromo-1-methylindol-3-yl)cyclopropyl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(1S,2S)-2-(5-bromo-1-methyl-indol-3-yl)cyclopropyl]methanone Formula: C20H16BrNO3 MolecularWeight: 398.24994

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)Br)C3CC3C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)Br)[C@H]3C[C@@H]3C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H16BrNO3/c1-22-9-16(14-7-12(21)3-4-17(14)22)13-8-15(13)20(23)11-2-5-18-19(6-11)25-10-24-18/h2-7,9,13,15H,8,10H2,1H3/t13-,15-/m0/s1