6,7-dimethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[(2-phenoxyethylamino)methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[(2-phenoxyethylamino)methyl]coumarin Formula: C20H21NO3 MolecularWeight: 323.38564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CNCCOC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CNCCOC3=CC=CC=C3)C

InChI

InChI=1S/C20H21NO3/c1-14-10-18-16(12-20(22)24-19(18)11-15(14)2)13-21-8-9-23-17-6-4-3-5-7-17/h3-7,10-12,21H,8-9,13H2,1-2H3