4'-[(2S)-4-ethyl-2-methyl-piperazin-1-yl]carbonylspiro[2-benzofuran-3,1'-cyclohexane]-1-one

Systemtic Name: 4'-[(2S)-4-ethyl-2-methyl-piperazin-1-yl]carbonylspiro[2-benzofuran-3,1'-cyclohexane]-1-one Openeye Name: 4-[(2S)-4-ethyl-2-methyl-piperazine-1-carbonyl]spiro[cyclohexane-1,3'-isobenzofuran]-1'-one CAS Name: 4-[[(2S)-4-ethyl-2-methyl-1-piperazinyl]-oxomethyl]-1'-spiro[cyclohexane-1,3'-isobenzofuran]one IUPAC Name: 4'-[(2S)-4-ethyl-2-methylpiperazine-1-carbonyl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one Traditional Name: 4-[(2S)-4-ethyl-2-methyl-piperazine-1-carbonyl]spiro[cyclohexane-1,3'-phthalan]-1'-one Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(C1)C)C(=O)C2CCC3(CC2)C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CCN1CCN([C@H](C1)C)C(=O)C2CCC3(CC2)C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H28N2O3/c1-3-22-12-13-23(15(2)14-22)19(24)16-8-10-21(11-9-16)18-7-5-4-6-17(18)20(25)26-21/h4-7,15-16H,3,8-14H2,1-2H3/t15-,16?,21?/m0/s1