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

Systemtic Name: 6,7-dimethyl-4-[(3-phenylpropylamino)methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(3-phenylpropylamino)methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[(3-phenylpropylamino)methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(3-phenylpropylamino)methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[(3-phenylpropylamino)methyl]coumarin Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CNCCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CNCCCC3=CC=CC=C3)C

InChI

InChI=1S/C21H23NO2/c1-15-11-19-18(13-21(23)24-20(19)12-16(15)2)14-22-10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-13,22H,6,9-10,14H2,1-2H3