[2-[(3-methylphenyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 6-morpholin-4-ylpyridine-3-carboxylate

Systemtic Name: [2-[(3-methylphenyl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 6-morpholin-4-ylpyridine-3-carboxylate Openeye Name: [2-(N-benzyl-3-methyl-anilino)-2-oxo-ethyl] 6-morpholinopyridine-3-carboxylate CAS Name: 6-(4-morpholinyl)-3-pyridinecarboxylic acid [2-(3-methyl-N-(phenylmethyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-benzyl-3-methylanilino)-2-oxoethyl] 6-morpholin-4-ylpyridine-3-carboxylate Traditional Name: 6-morpholinonicotinic acid [2-(N-benzyl-3-methyl-anilino)-2-keto-ethyl] ester Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=CN=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CC=CC=C2)C(=O)COC(=O)C3=CN=C(C=C3)N4CCOCC4

InChI

InChI=1S/C26H27N3O4/c1-20-6-5-9-23(16-20)29(18-21-7-3-2-4-8-21)25(30)19-33-26(31)22-10-11-24(27-17-22)28-12-14-32-15-13-28/h2-11,16-17H,12-15,18-19H2,1H3