methyl 2-[[(E)-3-(5-bromanylfuran-2-yl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[(E)-3-(5-bromanylfuran-2-yl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[(E)-3-(5-bromo-2-furyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[(E)-3-(5-bromo-2-furanyl)-1-oxoprop-2-enyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[(E)-3-(5-bromo-2-furyl)acryloyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C19H17BrN2O4 MolecularWeight: 417.25328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C=CC3=CC=C(O3)Br

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)/C=C/C3=CC=C(O3)Br

InChI

InChI=1S/C19H17BrN2O4/c1-25-19(24)16(10-12-11-21-15-5-3-2-4-14(12)15)22-18(23)9-7-13-6-8-17(20)26-13/h2-9,11,16,21H,10H2,1H3,(H,22,23)/b9-7+