7-[(2S)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]-4-methyl-chromen-2-one

Systemtic Name: 7-[(2S)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]-4-methyl-chromen-2-one Openeye Name: 7-[(2S)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxy-propoxy]-4-methyl-chromen-2-one CAS Name: 7-[(2S)-3-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-hydroxypropoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(2S)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropoxy]-4-methylchromen-2-one Traditional Name: 7-[(2S)-2-hydroxy-3-(4-o-phenetylpiperazino)propoxy]-4-methyl-coumarin Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC4=C(C=C3)C(=CC(=O)O4)C)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C[C@@H](COC3=CC4=C(C=C3)C(=CC(=O)O4)C)O

InChI

InChI=1S/C25H30N2O5/c1-3-30-23-7-5-4-6-22(23)27-12-10-26(11-13-27)16-19(28)17-31-20-8-9-21-18(2)14-25(29)32-24(21)15-20/h4-9,14-15,19,28H,3,10-13,16-17H2,1-2H3/t19-/m0/s1