(8-icosan-2-yl-5,5-dimethyl-chromeno[4,3-c]pyridin-10-yl) 4-piperidin-1-ylbutanoate hydrochloride

Systemtic Name: (8-icosan-2-yl-5,5-dimethyl-chromeno[4,3-c]pyridin-10-yl) 4-piperidin-1-ylbutanoate hydrochloride Openeye Name: [5,5-dimethyl-8-(1-methylnonadecyl)chromeno[4,3-c]pyridin-10-yl] 4-(1-piperidyl)butanoate hydrochloride CAS Name: 4-(1-piperidinyl)butanoic acid (8-eicosan-2-yl-5,5-dimethyl-10-[1]benzopyrano[4,3-c]pyridinyl) ester hydrochloride IUPAC Name: (8-icosan-2-yl-5,5-dimethylchromeno[4,3-c]pyridin-10-yl) 4-piperidin-1-ylbutanoate hydrochloride Traditional Name: 4-piperidinobutyric acid [5,5-dimethyl-8-(1-methylnonadecyl)chromeno[4,3-c]pyridin-10-yl] ester hydrochloride Formula: C43H69ClN2O3 MolecularWeight: 697.47256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C)C1=CC2=C(C(=C1)OC(=O)CCCN3CCCCC3)C4=C(C=CN=C4)C(O2)(C)C.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C)C1=CC2=C(C(=C1)OC(=O)CCCN3CCCCC3)C4=C(C=CN=C4)C(O2)(C)C.Cl

InChI

InChI=1S/C43H68N2O3.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-35(2)36-32-39(47-41(46)26-24-31-45-29-22-20-23-30-45)42-37-34-44-28-27-38(37)43(3,4)48-40(42)33-36;/h27-28,32-35H,5-26,29-31H2,1-4H3;1H