methyl 2-[[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methyl-pyridin-2-yl]piperidin-1-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methyl-pyridin-2-yl]piperidin-1-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methyl-2-pyridyl]piperidine-1-carbonyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[4-[3-[[4-(1-imidazolyl)anilino]-oxomethyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methylpyridin-2-yl]piperidine-1-carbonyl]amino]-4-methylpentanoate Traditional Name: 2-[[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methyl-2-pyridyl]piperidine-1-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C29H36N6O4 MolecularWeight: 532.63394

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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)NC(CC(C)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H36N6O4/c1-19(2)17-25(28(37)39-4)33-29(38)34-14-11-21(12-15-34)26-24(10-5-20(3)31-26)27(36)32-22-6-8-23(9-7-22)35-16-13-30-18-35/h5-10,13,16,18-19,21,25H,11-12,14-15,17H2,1-4H3,(H,32,36)(H,33,38)