[4-phenyl-1-[3-(1,2,5-trimethyl-4-propanoyloxy-piperidin-4-yl)prop-2-ynyl]piperidin-4-yl] propanoate

Systemtic Name: [4-phenyl-1-[3-(1,2,5-trimethyl-4-propanoyloxy-piperidin-4-yl)prop-2-ynyl]piperidin-4-yl] propanoate Openeye Name: [4-phenyl-1-[3-(1,2,5-trimethyl-4-propanoyloxy-4-piperidyl)prop-2-ynyl]-4-piperidyl] propanoate CAS Name: propanoic acid [4-phenyl-1-[3-[1,2,5-trimethyl-4-(1-oxopropoxy)-4-piperidinyl]prop-2-ynyl]-4-piperidinyl] ester IUPAC Name: [4-phenyl-1-[3-(1,2,5-trimethyl-4-propanoyloxypiperidin-4-yl)prop-2-ynyl]piperidin-4-yl] propanoate Traditional Name: propionic acid [4-phenyl-1-[3-(1,2,5-trimethyl-4-propionyloxy-4-piperidyl)prop-2-ynyl]-4-piperidyl] ester Formula: C28H40N2O4 MolecularWeight: 468.6282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CCN(CC1)CC#CC2(CC(N(CC2C)C)C)OC(=O)CC)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)OC1(CCN(CC1)CC#CC2(CC(N(CC2C)C)C)OC(=O)CC)C3=CC=CC=C3

InChI

InChI=1S/C28H40N2O4/c1-6-25(31)33-27(24-12-9-8-10-13-24)15-18-30(19-16-27)17-11-14-28(34-26(32)7-2)20-23(4)29(5)21-22(28)3/h8-10,12-13,22-23H,6-7,15-21H2,1-5H3