2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)chromen-4-one

Systemtic Name: 2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)chromen-4-one Openeye Name: 2-(4-tert-butylphenyl)-6-chloro-7-methyl-3-(2-oxo-2-pyrrolidin-1-yl-ethoxy)chromen-4-one CAS Name: 2-(4-tert-butylphenyl)-6-chloro-7-methyl-3-[2-oxo-2-(1-pyrrolidinyl)ethoxy]-1-benzopyran-4-one IUPAC Name: 2-(4-tert-butylphenyl)-6-chloro-7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)chromen-4-one Traditional Name: 2-(4-tert-butylphenyl)-6-chloro-3-(2-keto-2-pyrrolidino-ethoxy)-7-methyl-chromone Formula: C26H28ClNO4 MolecularWeight: 453.95782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=C(C2=O)OCC(=O)N3CCCC3)C4=CC=C(C=C4)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=C(C2=O)OCC(=O)N3CCCC3)C4=CC=C(C=C4)C(C)(C)C)Cl

InChI

InChI=1S/C26H28ClNO4/c1-16-13-21-19(14-20(16)27)23(30)25(31-15-22(29)28-11-5-6-12-28)24(32-21)17-7-9-18(10-8-17)26(2,3)4/h7-10,13-14H,5-6,11-12,15H2,1-4H3