4,8-dimethyl-7-[(2S)-2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one

Systemtic Name: 4,8-dimethyl-7-[(2S)-2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one Openeye Name: 7-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-4,8-dimethyl-chromen-2-one CAS Name: 7-[(2S)-2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]-4,8-dimethyl-1-benzopyran-2-one IUPAC Name: 7-[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-4,8-dimethylchromen-2-one Traditional Name: 7-[(2S)-2-hydroxy-3-(4-phenylpiperazino)propoxy]-4,8-dimethyl-coumarin Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(CN3CCN(CC3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C)OC[C@H](CN3CCN(CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C24H28N2O4/c1-17-14-23(28)30-24-18(2)22(9-8-21(17)24)29-16-20(27)15-25-10-12-26(13-11-25)19-6-4-3-5-7-19/h3-9,14,20,27H,10-13,15-16H2,1-2H3/t20-/m0/s1