[2,2-dimethyl-5-oxidanyl-6-[(E)-3-oxidanylidene-3-piperidin-1-yl-prop-1-enyl]-4-piperidin-1-yl-3,4-dihydrochromen-3-yl] 2-methylbutanoate

Systemtic Name: [2,2-dimethyl-5-oxidanyl-6-[(E)-3-oxidanylidene-3-piperidin-1-yl-prop-1-enyl]-4-piperidin-1-yl-3,4-dihydrochromen-3-yl] 2-methylbutanoate Openeye Name: [5-hydroxy-2,2-dimethyl-6-[(E)-3-oxo-3-(1-piperidyl)prop-1-enyl]-4-(1-piperidyl)chroman-3-yl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [5-hydroxy-2,2-dimethyl-6-[(E)-3-oxo-3-(1-piperidinyl)prop-1-enyl]-4-(1-piperidinyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [5-hydroxy-2,2-dimethyl-6-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]-4-piperidin-1-yl-3,4-dihydrochromen-3-yl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [5-hydroxy-6-[(E)-3-keto-3-piperidino-prop-1-enyl]-2,2-dimethyl-4-piperidino-chroman-3-yl] ester Formula: C29H42N2O5 MolecularWeight: 498.65418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1C(C2=C(C=CC(=C2O)C=CC(=O)N3CCCCC3)OC1(C)C)N4CCCCC4

Isomeric SMILES

CCC(C)C(=O)OC1C(C2=C(C=CC(=C2O)/C=C/C(=O)N3CCCCC3)OC1(C)C)N4CCCCC4

InChI

InChI=1S/C29H42N2O5/c1-5-20(2)28(34)35-27-25(31-18-10-7-11-19-31)24-22(36-29(27,3)4)14-12-21(26(24)33)13-15-23(32)30-16-8-6-9-17-30/h12-15,20,25,27,33H,5-11,16-19H2,1-4H3/b15-13+