ethyl 4-[2-[1-[(5-methoxycarbonyl-1-methyl-pyrrol-3-yl)methyl]piperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-[(5-methoxycarbonyl-1-methyl-pyrrol-3-yl)methyl]piperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-[(5-methoxycarbonyl-1-methyl-pyrrol-3-yl)methyl]-4-piperidyl]-6-methyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[1-[(5-methoxycarbonyl-1-methyl-3-pyrrolyl)methyl]-4-piperidinyl]-6-methyl-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-[(5-methoxycarbonyl-1-methylpyrrol-3-yl)methyl]piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-[(5-carbomethoxy-1-methyl-pyrrol-3-yl)methyl]-4-piperidyl]-6-methyl-nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H37N5O5 MolecularWeight: 511.61318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)CC4=CN(C(=C4)C(=O)OC)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)CC4=CN(C(=C4)C(=O)OC)C

InChI

InChI=1S/C27H37N5O5/c1-5-37-27(35)32-14-12-31(13-15-32)25(33)22-7-6-19(2)28-24(22)21-8-10-30(11-9-21)18-20-16-23(26(34)36-4)29(3)17-20/h6-7,16-17,21H,5,8-15,18H2,1-4H3