ethyl 3-[7-[(4-tert-butylphenyl)methoxy]-6-chloranyl-4-methyl-2-oxidanylidene-chromen-3-yl]propanoate

Systemtic Name: ethyl 3-[7-[(4-tert-butylphenyl)methoxy]-6-chloranyl-4-methyl-2-oxidanylidene-chromen-3-yl]propanoate Openeye Name: ethyl 3-[7-[(4-tert-butylphenyl)methoxy]-6-chloro-4-methyl-2-oxo-chromen-3-yl]propanoate CAS Name: 3-[7-[(4-tert-butylphenyl)methoxy]-6-chloro-4-methyl-2-oxo-1-benzopyran-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-[(4-tert-butylphenyl)methoxy]-6-chloro-4-methyl-2-oxochromen-3-yl]propanoate Traditional Name: 3-[7-(4-tert-butylbenzyl)oxy-6-chloro-2-keto-4-methyl-chromen-3-yl]propionic acid ethyl ester Formula: C26H29ClO5 MolecularWeight: 456.95846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)OCC3=CC=C(C=C3)C(C)(C)C)Cl)C

Isomeric SMILES

CCOC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)OCC3=CC=C(C=C3)C(C)(C)C)Cl)C

InChI

InChI=1S/C26H29ClO5/c1-6-30-24(28)12-11-19-16(2)20-13-21(27)23(14-22(20)32-25(19)29)31-15-17-7-9-18(10-8-17)26(3,4)5/h7-10,13-14H,6,11-12,15H2,1-5H3