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

Systemtic Name: 6-ethyl-7-oxidanyl-4-[[[(2S)-2-phenylbutyl]amino]methyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[[(2S)-2-phenylbutyl]amino]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[[(2S)-2-phenylbutyl]amino]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[[(2S)-2-phenylbutyl]amino]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[[(2S)-2-phenylbutyl]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)CNCC(CC)C3=CC=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3/c1-3-15-10-19-18(11-22(25)26-21(19)12-20(15)24)14-23-13-16(4-2)17-8-6-5-7-9-17/h5-12,16,23-24H,3-4,13-14H2,1-2H3/t16-/m1/s1