5-[(4-tert-butylphenyl)methoxy]-4,7-dimethyl-3-(phenylmethyl)chromen-2-one

Systemtic Name: 5-[(4-tert-butylphenyl)methoxy]-4,7-dimethyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-5-[(4-tert-butylphenyl)methoxy]-4,7-dimethyl-chromen-2-one CAS Name: 5-[(4-tert-butylphenyl)methoxy]-4,7-dimethyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-5-[(4-tert-butylphenyl)methoxy]-4,7-dimethylchromen-2-one Traditional Name: 3-benzyl-5-(4-tert-butylbenzyl)oxy-4,7-dimethyl-coumarin Formula: C29H30O3 MolecularWeight: 426.5467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C29H30O3/c1-19-15-25(31-18-22-11-13-23(14-12-22)29(3,4)5)27-20(2)24(28(30)32-26(27)16-19)17-21-9-7-6-8-10-21/h6-16H,17-18H2,1-5H3