methyl 5-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethanoylamino]-1-phenethyl-piperidine-3-carboxylate

Systemtic Name: methyl 5-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethanoylamino]-1-phenethyl-piperidine-3-carboxylate Openeye Name: methyl 5-[[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetyl]amino]-1-phenethyl-piperidine-3-carboxylate CAS Name: 5-[[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]-1-oxoethyl]amino]-1-phenethyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetyl]amino]-1-phenethylpiperidine-3-carboxylate Traditional Name: 5-[[2-[3-(4-cyanobenzyl)imidazol-4-yl]acetyl]amino]-1-phenethyl-nipecotic acid methyl ester Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN(C1)CCC2=CC=CC=C2)NC(=O)CC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)C1CC(CN(C1)CCC2=CC=CC=C2)NC(=O)CC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H31N5O3/c1-36-28(35)24-13-25(19-32(18-24)12-11-21-5-3-2-4-6-21)31-27(34)14-26-16-30-20-33(26)17-23-9-7-22(15-29)8-10-23/h2-10,16,20,24-25H,11-14,17-19H2,1H3,(H,31,34)