[3-(3-methoxypropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-tert-butylbenzoate

Systemtic Name: [3-(3-methoxypropylcarbamoyl)-2-oxidanylidene-chromen-7-yl] 4-tert-butylbenzoate Openeye Name: [3-(3-methoxypropylcarbamoyl)-2-oxo-chromen-7-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-[(3-methoxypropylamino)-oxomethyl]-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3-methoxypropylcarbamoyl)-2-oxochromen-7-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-keto-3-(3-methoxypropylcarbamoyl)chromen-7-yl] ester Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCCCOC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C(=O)NCCCOC

InChI

InChI=1S/C25H27NO6/c1-25(2,3)18-9-6-16(7-10-18)23(28)31-19-11-8-17-14-20(24(29)32-21(17)15-19)22(27)26-12-5-13-30-4/h6-11,14-15H,5,12-13H2,1-4H3,(H,26,27)