[2-oxidanylidene-3-(1-phenylethylcarbamoyl)chromen-7-yl] 3,4-dimethylbenzoate

Systemtic Name: [2-oxidanylidene-3-(1-phenylethylcarbamoyl)chromen-7-yl] 3,4-dimethylbenzoate Openeye Name: [2-oxo-3-(1-phenylethylcarbamoyl)chromen-7-yl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [2-oxo-3-[oxo-(1-phenylethylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(1-phenylethylcarbamoyl)chromen-7-yl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-keto-3-(1-phenylethylcarbamoyl)chromen-7-yl] ester Formula: C27H23NO5 MolecularWeight: 441.47522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NC(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NC(C)C4=CC=CC=C4)C

InChI

InChI=1S/C27H23NO5/c1-16-9-10-21(13-17(16)2)26(30)32-22-12-11-20-14-23(27(31)33-24(20)15-22)25(29)28-18(3)19-7-5-4-6-8-19/h4-15,18H,1-3H3,(H,28,29)