[2-oxidanylidene-3-(1-phenylethylcarbamoyl)chromen-7-yl] 4-(2,5-dimethylphenoxy)butanoate

Systemtic Name: [2-oxidanylidene-3-(1-phenylethylcarbamoyl)chromen-7-yl] 4-(2,5-dimethylphenoxy)butanoate Openeye Name: [2-oxo-3-(1-phenylethylcarbamoyl)chromen-7-yl] 4-(2,5-dimethylphenoxy)butanoate CAS Name: 4-(2,5-dimethylphenoxy)butanoic acid [2-oxo-3-[oxo-(1-phenylethylamino)methyl]-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-3-(1-phenylethylcarbamoyl)chromen-7-yl] 4-(2,5-dimethylphenoxy)butanoate Traditional Name: 4-(2,5-dimethylphenoxy)butyric acid [2-keto-3-(1-phenylethylcarbamoyl)chromen-7-yl] ester Formula: C30H29NO6 MolecularWeight: 499.55436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H29NO6/c1-19-11-12-20(2)26(16-19)35-15-7-10-28(32)36-24-14-13-23-17-25(30(34)37-27(23)18-24)29(33)31-21(3)22-8-5-4-6-9-22/h4-6,8-9,11-14,16-18,21H,7,10,15H2,1-3H3,(H,31,33)