4,8-dimethyl-7-[(2S)-2-oxidanyl-3-(phenethylamino)propoxy]chromen-2-one

Systemtic Name: 4,8-dimethyl-7-[(2S)-2-oxidanyl-3-(phenethylamino)propoxy]chromen-2-one Openeye Name: 7-[(2S)-2-hydroxy-3-(phenethylamino)propoxy]-4,8-dimethyl-chromen-2-one CAS Name: 7-[(2S)-2-hydroxy-3-(phenethylamino)propoxy]-4,8-dimethyl-1-benzopyran-2-one IUPAC Name: 7-[(2S)-2-hydroxy-3-(phenethylamino)propoxy]-4,8-dimethylchromen-2-one Traditional Name: 7-[(2S)-2-hydroxy-3-(phenethylamino)propoxy]-4,8-dimethyl-coumarin Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(CNCCC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C)OC[C@H](CNCCC3=CC=CC=C3)O

InChI

InChI=1S/C22H25NO4/c1-15-12-21(25)27-22-16(2)20(9-8-19(15)22)26-14-18(24)13-23-11-10-17-6-4-3-5-7-17/h3-9,12,18,23-24H,10-11,13-14H2,1-2H3/t18-/m0/s1