(2S)-2-(3,5-dimethylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2S)-2-(3,5-dimethylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-one Openeye Name: (2S)-2-(3,5-dimethylphenoxy)-1-[4-(2-furylmethyl)piperazin-1-yl]propan-1-one CAS Name: (2S)-2-(3,5-dimethylphenoxy)-1-[4-(2-furanylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: (2S)-2-(3,5-dimethylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: (2S)-2-(3,5-dimethylphenoxy)-1-[4-(2-furfuryl)piperazino]propan-1-one Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(C)C(=O)N2CCN(CC2)CC3=CC=CO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)O[C@@H](C)C(=O)N2CCN(CC2)CC3=CC=CO3)C

InChI

InChI=1S/C20H26N2O3/c1-15-11-16(2)13-19(12-15)25-17(3)20(23)22-8-6-21(7-9-22)14-18-5-4-10-24-18/h4-5,10-13,17H,6-9,14H2,1-3H3/t17-/m0/s1