[1-(3-bromanyl-5-isoquinolin-6-yl-phenoxy)-3-(1H-indol-3-yl)propan-2-yl]carbamic acid

Systemtic Name: [1-(3-bromanyl-5-isoquinolin-6-yl-phenoxy)-3-(1H-indol-3-yl)propan-2-yl]carbamic acid Openeye Name: [1-[[3-bromo-5-(6-isoquinolyl)phenoxy]methyl]-2-(1H-indol-3-yl)ethyl]carbamic acid CAS Name: [1-[3-bromo-5-(6-isoquinolinyl)phenoxy]-3-(1H-indol-3-yl)propan-2-yl]carbamic acid IUPAC Name: [1-(3-bromo-5-isoquinolin-6-ylphenoxy)-3-(1H-indol-3-yl)propan-2-yl]carbamic acid Traditional Name: [1-[[3-bromo-5-(6-isoquinolyl)phenoxy]methyl]-2-(1H-indol-3-yl)ethyl]carbamic acid Formula: C27H22BrN3O3 MolecularWeight: 516.38588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CC(=CC(=C3)C4=CC5=C(C=C4)C=NC=C5)Br)NC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CC(=CC(=C3)C4=CC5=C(C=C4)C=NC=C5)Br)NC(=O)O

InChI

InChI=1S/C27H22BrN3O3/c28-22-10-20(17-5-6-19-14-29-8-7-18(19)9-17)12-24(13-22)34-16-23(31-27(32)33)11-21-15-30-26-4-2-1-3-25(21)26/h1-10,12-15,23,30-31H,11,16H2,(H,32,33)