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

Systemtic Name: [6-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-5-oxidanyl-4-piperidin-1-yl-3,4-dihydrochromen-3-yl] 3-methylbutanoate Openeye Name: [6-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-5-hydroxy-2,2-dimethyl-4-(1-piperidyl)chroman-3-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-hydroxy-2,2-dimethyl-4-(1-piperidinyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromen-3-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [6-[(E)-3-ethoxy-3-keto-prop-1-enyl]-5-hydroxy-2,2-dimethyl-4-piperidino-chroman-3-yl] ester Formula: C26H37NO6 MolecularWeight: 459.57508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(C2=C(C=C1)OC(C(C2N3CCCCC3)OC(=O)CC(C)C)(C)C)O

Isomeric SMILES

CCOC(=O)/C=C/C1=C(C2=C(C=C1)OC(C(C2N3CCCCC3)OC(=O)CC(C)C)(C)C)O

InChI

InChI=1S/C26H37NO6/c1-6-31-20(28)13-11-18-10-12-19-22(24(18)30)23(27-14-8-7-9-15-27)25(26(4,5)33-19)32-21(29)16-17(2)3/h10-13,17,23,25,30H,6-9,14-16H2,1-5H3/b13-11+