[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] 3-methylbut-2-enoate

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] 3-methylbut-2-enoate Openeye Name: [5-hydroxy-2,2-dimethyl-6-[(E)-3-oxo-3-(1-piperidyl)prop-1-enyl]-4-(1-piperidyl)chroman-3-yl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic 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] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid [5-hydroxy-6-[(E)-3-keto-3-piperidino-prop-1-enyl]-2,2-dimethyl-4-piperidino-chroman-3-yl] ester Formula: C29H40N2O5 MolecularWeight: 496.6383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O5/c1-20(2)19-24(33)35-28-26(31-17-9-6-10-18-31)25-22(36-29(28,3)4)13-11-21(27(25)34)12-14-23(32)30-15-7-5-8-16-30/h11-14,19,26,28,34H,5-10,15-18H2,1-4H3/b14-12+