3-tert-butyl-7-[3-(dimethylamino)-1-phenyl-propoxy]chromen-2-one

Systemtic Name: 3-tert-butyl-7-[3-(dimethylamino)-1-phenyl-propoxy]chromen-2-one Openeye Name: 3-tert-butyl-7-[3-(dimethylamino)-1-phenyl-propoxy]chromen-2-one CAS Name: 3-tert-butyl-7-[3-(dimethylamino)-1-phenylpropoxy]-1-benzopyran-2-one IUPAC Name: 3-tert-butyl-7-[3-(dimethylamino)-1-phenylpropoxy]chromen-2-one Traditional Name: 3-tert-butyl-7-[3-(dimethylamino)-1-phenyl-propoxy]coumarin Formula: C24H29NO3 MolecularWeight: 379.49196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C(C=C2)OC(CCN(C)C)C3=CC=CC=C3)OC1=O

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C(C=C2)OC(CCN(C)C)C3=CC=CC=C3)OC1=O

InChI

InChI=1S/C24H29NO3/c1-24(2,3)20-15-18-11-12-19(16-22(18)28-23(20)26)27-21(13-14-25(4)5)17-9-7-6-8-10-17/h6-12,15-16,21H,13-14H2,1-5H3