6,7-dimethyl-4-[(3-propan-2-yloxypropylamino)methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[(3-propan-2-yloxypropylamino)methyl]chromen-2-one Openeye Name: 4-[(3-isopropoxypropylamino)methyl]-6,7-dimethyl-chromen-2-one CAS Name: 6,7-dimethyl-4-[(3-propan-2-yloxypropylamino)methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(3-propan-2-yloxypropylamino)methyl]chromen-2-one Traditional Name: 4-[(3-isopropoxypropylamino)methyl]-6,7-dimethyl-coumarin Formula: C18H25NO3 MolecularWeight: 303.396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CNCCCOC(C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CNCCCOC(C)C)C

InChI

InChI=1S/C18H25NO3/c1-12(2)21-7-5-6-19-11-15-10-18(20)22-17-9-14(4)13(3)8-16(15)17/h8-10,12,19H,5-7,11H2,1-4H3