6-ethyl-4-[[[(1S)-2-methyl-1-phenyl-propyl]amino]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-[[[(1S)-2-methyl-1-phenyl-propyl]amino]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[[(1S)-2-methyl-1-phenyl-propyl]amino]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[[(1S)-2-methyl-1-phenylpropyl]amino]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[[(1S)-2-methyl-1-phenyl-propyl]amino]methyl]coumarin Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN[C@H](C3=CC=CC=C3)C(C)C)O

InChI

InChI=1S/C22H25NO3/c1-4-15-10-18-17(11-21(25)26-20(18)12-19(15)24)13-23-22(14(2)3)16-8-6-5-7-9-16/h5-12,14,22-24H,4,13H2,1-3H3/t22-/m0/s1