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

Systemtic Name: methyl (2S)-1-[6-methyl-4-oxidanylidene-2-phenethyl-1-(pyridin-2-ylmethyl)pyridin-3-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[6-methyl-4-oxo-2-phenethyl-1-(2-pyridylmethyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[6-methyl-4-oxo-2-phenethyl-1-(2-pyridinylmethyl)-3-pyridinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[6-methyl-4-oxo-2-phenethyl-1-(pyridin-2-ylmethyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-keto-6-methyl-2-phenethyl-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(=O)C(=C(N1CC2=CC=CC=N2)CCC3=CC=CC=C3)C(=O)N4CCCC4C(=O)OC

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC2=CC=CC=N2)CCC3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)OC

InChI

InChI=1S/C27H29N3O4/c1-19-17-24(31)25(26(32)29-16-8-12-23(29)27(33)34-2)22(14-13-20-9-4-3-5-10-20)30(19)18-21-11-6-7-15-28-21/h3-7,9-11,15,17,23H,8,12-14,16,18H2,1-2H3/t23-/m0/s1