[2-oxidanylidene-3-[(phenylmethyl)carbamoyl]chromen-7-yl] (E)-3-(3-bromanyl-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-3-[(phenylmethyl)carbamoyl]chromen-7-yl] (E)-3-(3-bromanyl-4-methoxy-phenyl)prop-2-enoate Openeye Name: [3-(benzylcarbamoyl)-2-oxo-chromen-7-yl] (E)-3-(3-bromo-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-bromo-4-methoxyphenyl)-2-propenoic acid [2-oxo-3-[oxo-[(phenylmethyl)amino]methyl]-1-benzopyran-7-yl] ester IUPAC Name: [3-(benzylcarbamoyl)-2-oxochromen-7-yl] (E)-3-(3-bromo-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromo-4-methoxy-phenyl)acrylic acid [3-(benzylcarbamoyl)-2-keto-chromen-7-yl] ester Formula: C27H20BrNO6 MolecularWeight: 534.3548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCC4=CC=CC=C4)Br

InChI

InChI=1S/C27H20BrNO6/c1-33-23-11-7-17(13-22(23)28)8-12-25(30)34-20-10-9-19-14-21(27(32)35-24(19)15-20)26(31)29-16-18-5-3-2-4-6-18/h2-15H,16H2,1H3,(H,29,31)/b12-8+