6-ethyl-7-oxidanyl-4-[[(3-propan-2-ylphenyl)amino]methyl]chromen-2-one

Systemtic Name: 6-ethyl-7-oxidanyl-4-[[(3-propan-2-ylphenyl)amino]methyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[(3-isopropylanilino)methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[(3-propan-2-ylanilino)methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[(3-propan-2-ylanilino)methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[(3-isopropylanilino)methyl]coumarin Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3=CC=CC(=C3)C(C)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3=CC=CC(=C3)C(C)C)O

InChI

InChI=1S/C21H23NO3/c1-4-14-9-18-16(10-21(24)25-20(18)11-19(14)23)12-22-17-7-5-6-15(8-17)13(2)3/h5-11,13,22-23H,4,12H2,1-3H3