methyl (2S)-1-[6-methyl-2-[(2-methylphenyl)methyl]-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridin-3-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[6-methyl-2-[(2-methylphenyl)methyl]-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridin-3-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[6-methyl-2-(o-tolylmethyl)-4-oxo-1-(2-pyridylmethyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[6-methyl-2-[(2-methylphenyl)methyl]-4-oxo-1-(2-pyridinylmethyl)-3-pyridinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[6-methyl-2-[(2-methylphenyl)methyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-keto-6-methyl-2-(2-methylbenzyl)-1-(2-pyridylmethyl)nicotinoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=C(C(=O)C=C(N2CC3=CC=CC=N3)C)C(=O)N4CCCC4C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CC2=C(C(=O)C=C(N2CC3=CC=CC=N3)C)C(=O)N4CCC[C@H]4C(=O)OC

InChI

InChI=1S/C27H29N3O4/c1-18-9-4-5-10-20(18)16-23-25(26(32)29-14-8-12-22(29)27(33)34-3)24(31)15-19(2)30(23)17-21-11-6-7-13-28-21/h4-7,9-11,13,15,22H,8,12,14,16-17H2,1-3H3/t22-/m0/s1