N-[(1-bromanyl-4-methoxy-9H-xanthen-9-yl)methyl]pent-4-ynamide

Systemtic Name: N-[(1-bromanyl-4-methoxy-9H-xanthen-9-yl)methyl]pent-4-ynamide Openeye Name: N-[(1-bromo-4-methoxy-9H-xanthen-9-yl)methyl]pent-4-ynamide CAS Name: N-[(1-bromo-4-methoxy-9H-xanthen-9-yl)methyl]-4-pentynamide IUPAC Name: N-[(1-bromo-4-methoxy-9H-xanthen-9-yl)methyl]pent-4-ynamide Traditional Name: N-[(1-bromo-4-methoxy-9H-xanthen-9-yl)methyl]pent-4-ynamide Formula: C20H18BrNO3 MolecularWeight: 400.26582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Br)C(C3=CC=CC=C3O2)CNC(=O)CCC#C

Isomeric SMILES

COC1=C2C(=C(C=C1)Br)C(C3=CC=CC=C3O2)CNC(=O)CCC#C

InChI

InChI=1S/C20H18BrNO3/c1-3-4-9-18(23)22-12-14-13-7-5-6-8-16(13)25-20-17(24-2)11-10-15(21)19(14)20/h1,5-8,10-11,14H,4,9,12H2,2H3,(H,22,23)