3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propyl (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: 3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propyl (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: 3-[(2-oxochromene-3-carbonyl)amino]propyl (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid 3-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]propyl ester IUPAC Name: 3-[(2-oxochromene-3-carbonyl)amino]propyl (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid 3-[(2-ketochromene-3-carbonyl)amino]propyl ester Formula: C23H20BrNO6 MolecularWeight: 486.312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)OCCCNC(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)OCCCNC(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C23H20BrNO6/c1-29-19-9-8-17(24)13-16(19)7-10-21(26)30-12-4-11-25-22(27)18-14-15-5-2-3-6-20(15)31-23(18)28/h2-3,5-10,13-14H,4,11-12H2,1H3,(H,25,27)/b10-7+