7,8-dimethyl-4-[[[(2S)-2-phenylbutyl]amino]methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[[[(2S)-2-phenylbutyl]amino]methyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[[(2S)-2-phenylbutyl]amino]methyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[[(2S)-2-phenylbutyl]amino]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[[[(2S)-2-phenylbutyl]amino]methyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[[(2S)-2-phenylbutyl]amino]methyl]coumarin Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNCC1=CC(=O)OC2=C1C=CC(=C2C)C)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNCC1=CC(=O)OC2=C1C=CC(=C2C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO2/c1-4-17(18-8-6-5-7-9-18)13-23-14-19-12-21(24)25-22-16(3)15(2)10-11-20(19)22/h5-12,17,23H,4,13-14H2,1-3H3/t17-/m1/s1