diethyl 2-[2-[[(2R)-4-methylpentan-2-yl]amino]-5-phenylazanyl-phenyl]propanedioate

Systemtic Name: diethyl 2-[2-[[(2R)-4-methylpentan-2-yl]amino]-5-phenylazanyl-phenyl]propanedioate Openeye Name: diethyl 2-[5-anilino-2-[[(1R)-1,3-dimethylbutyl]amino]phenyl]propanedioate CAS Name: 2-[5-anilino-2-[[(2R)-4-methylpentan-2-yl]amino]phenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[5-anilino-2-[[(2R)-4-methylpentan-2-yl]amino]phenyl]propanedioate Traditional Name: 2-[5-anilino-2-[[(1R)-1,3-dimethylbutyl]amino]phenyl]malonic acid diethyl ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C=CC(=C1)NC2=CC=CC=C2)NC(C)CC(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=C(C=CC(=C1)NC2=CC=CC=C2)N[C@H](C)CC(C)C)C(=O)OCC

InChI

InChI=1S/C25H34N2O4/c1-6-30-24(28)23(25(29)31-7-2)21-16-20(27-19-11-9-8-10-12-19)13-14-22(21)26-18(5)15-17(3)4/h8-14,16-18,23,26-27H,6-7,15H2,1-5H3/t18-/m1/s1