methyl 2-acetamido-4-[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methyl-pyridin-2-yl]piperidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 2-acetamido-4-[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methyl-pyridin-2-yl]piperidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 2-acetamido-4-[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methyl-2-pyridyl]-1-piperidyl]-4-oxo-butanoate CAS Name: 2-acetamido-4-[4-[3-[[4-(1-imidazolyl)anilino]-oxomethyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 2-acetamido-4-[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methylpyridin-2-yl]piperidin-1-yl]-4-oxobutanoate Traditional Name: 2-acetamido-4-[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methyl-2-pyridyl]piperidino]-4-keto-butyric acid methyl ester Formula: C28H32N6O5 MolecularWeight: 532.59088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=O)CC(C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4CCN(CC4)C(=O)CC(C(=O)OC)NC(=O)C

InChI

InChI=1S/C28H32N6O5/c1-18-4-9-23(27(37)32-21-5-7-22(8-6-21)34-15-12-29-17-34)26(30-18)20-10-13-33(14-11-20)25(36)16-24(28(38)39-3)31-19(2)35/h4-9,12,15,17,20,24H,10-11,13-14,16H2,1-3H3,(H,31,35)(H,32,37)