4-[[(4-tert-butylphenyl)amino]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[(4-tert-butylphenyl)amino]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[(4-tert-butylanilino)methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[(4-tert-butylanilino)methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(4-tert-butylanilino)methyl]-7-hydroxychromen-2-one Traditional Name: 4-[(4-tert-butylanilino)methyl]-7-hydroxy-coumarin Formula: C20H21NO3 MolecularWeight: 323.38564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C20H21NO3/c1-20(2,3)14-4-6-15(7-5-14)21-12-13-10-19(23)24-18-11-16(22)8-9-17(13)18/h4-11,21-22H,12H2,1-3H3