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

Systemtic Name: 3-tert-butyl-7-[3-(methylamino)-1-phenyl-propoxy]chromen-2-one Openeye Name: 3-tert-butyl-7-[3-(methylamino)-1-phenyl-propoxy]chromen-2-one CAS Name: 3-tert-butyl-7-[3-(methylamino)-1-phenylpropoxy]-1-benzopyran-2-one IUPAC Name: 3-tert-butyl-7-[3-(methylamino)-1-phenylpropoxy]chromen-2-one Traditional Name: 3-tert-butyl-7-[3-(methylamino)-1-phenyl-propoxy]coumarin Formula: C23H27NO3 MolecularWeight: 365.46538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO3/c1-23(2,3)19-14-17-10-11-18(15-21(17)27-22(19)25)26-20(12-13-24-4)16-8-6-5-7-9-16/h5-11,14-15,20,24H,12-13H2,1-4H3