3-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-(4-tert-butylphenyl)-6-chloranyl-chromen-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-2-(4-tert-butylphenyl)-6-chloranyl-chromen-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethoxy]-2-(4-tert-butylphenyl)-6-chloro-chromen-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethoxy]-2-(4-tert-butylphenyl)-6-chloro-1-benzopyran-4-one IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethoxy]-2-(4-tert-butylphenyl)-6-chlorochromen-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethoxy]-2-(4-tert-butylphenyl)-6-chloro-chromone Formula: C27H30ClNO4 MolecularWeight: 467.9844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC(=O)N4CCCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC(=O)N4CCCCCC4

InChI

InChI=1S/C27H30ClNO4/c1-27(2,3)19-10-8-18(9-11-19)25-26(24(31)21-16-20(28)12-13-22(21)33-25)32-17-23(30)29-14-6-4-5-7-15-29/h8-13,16H,4-7,14-15,17H2,1-3H3