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

Systemtic Name: 6-ethyl-7-oxidanyl-4-[[[(2S)-2-oxidanyl-2-phenyl-ethyl]amino]methyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[[(2S)-2-hydroxy-2-phenylethyl]amino]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[[(2S)-2-hydroxy-2-phenylethyl]amino]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]methyl]coumarin Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4/c1-2-13-8-16-15(9-20(24)25-19(16)10-17(13)22)11-21-12-18(23)14-6-4-3-5-7-14/h3-10,18,21-23H,2,11-12H2,1H3/t18-/m1/s1