2-[phenyl-(phenylmethyl)amino]ethyl 5-(5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-1-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-4H-pyridine-3-carboxylate

Systemtic Name: 2-[phenyl-(phenylmethyl)amino]ethyl 5-(5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-1-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-4H-pyridine-3-carboxylate Openeye Name: 2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-1-(2-morpholinoethyl)-4-(3-nitrophenyl)-4H-pyridine-3-carboxylate CAS Name: 5-(5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-2-yl)-2,6-dimethyl-1-[2-(4-morpholinyl)ethyl]-4-(3-nitrophenyl)-4H-pyridine-3-carboxylic acid 2-(N-(phenylmethyl)anilino)ethyl ester IUPAC Name: 2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl-1-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-4H-pyridine-3-carboxylate Traditional Name: 5-(2-keto-5,5-dimethyl-1,3,2$l^{5}-dioxaphosphorinan-2-yl)-2,6-dimethyl-1-(2-morpholinoethyl)-4-(3-nitrophenyl)-4H-pyridine-3-carboxylic acid 2-(N-benzylanilino)ethyl ester Formula: C40H49N4O8P MolecularWeight: 744.812821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1CCN2CCOCC2)C)P3(=O)OCC(CO3)(C)C)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OCCN(CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C(C(=C(N1CCN2CCOCC2)C)P3(=O)OCC(CO3)(C)C)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OCCN(CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C40H49N4O8P/c1-30-36(39(45)50-25-22-42(34-15-9-6-10-16-34)27-32-12-7-5-8-13-32)37(33-14-11-17-35(26-33)44(46)47)38(53(48)51-28-40(3,4)29-52-53)31(2)43(30)19-18-41-20-23-49-24-21-41/h5-17,26,37H,18-25,27-29H2,1-4H3