ethyl (E)-4-[[2-[(5-ethyl-1-propan-2-yl-piperidin-2-yl)carbonylamino]-3-methyl-butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoate

Systemtic Name: ethyl (E)-4-[[2-[(5-ethyl-1-propan-2-yl-piperidin-2-yl)carbonylamino]-3-methyl-butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoate Openeye Name: ethyl (E)-4-[[2-[(5-ethyl-1-isopropyl-piperidine-2-carbonyl)amino]-3-methyl-butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoate CAS Name: (E)-4-[[2-[[(5-ethyl-1-propan-2-yl-2-piperidinyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-methylamino]-2,5-dimethyl-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[2-[(5-ethyl-1-propan-2-ylpiperidine-2-carbonyl)amino]-3-methylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate Traditional Name: (E)-4-[[2-[(5-ethyl-1-isopropyl-pipecoloyl)amino]-3-methyl-butanoyl]-methyl-amino]-2,5-dimethyl-hex-2-enoic acid ethyl ester Formula: C27H49N3O4 MolecularWeight: 479.69566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(N(C1)C(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(C=C(C)C(=O)OCC)C(C)C

Isomeric SMILES

CCC1CCC(N(C1)C(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(/C=C(\C)/C(=O)OCC)C(C)C

InChI

InChI=1S/C27H49N3O4/c1-11-21-13-14-22(30(16-21)19(7)8)25(31)28-24(18(5)6)26(32)29(10)23(17(3)4)15-20(9)27(33)34-12-2/h15,17-19,21-24H,11-14,16H2,1-10H3,(H,28,31)/b20-15+