diethyl 2-[[(3-cyanophenyl)amino]-[[(1R)-1-phenylethyl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(3-cyanophenyl)amino]-[[(1R)-1-phenylethyl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[(3-cyanoanilino)-[[(1R)-1-phenylethyl]amino]methylene]propanedioate CAS Name: 2-[(3-cyanoanilino)-[[(1R)-1-phenylethyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(3-cyanoanilino)-[[(1R)-1-phenylethyl]amino]methylidene]propanedioate Traditional Name: 2-[(3-cyanoanilino)-[[(1R)-1-phenylethyl]amino]methylene]malonic acid diethyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=CC=CC(=C1)C#N)NC(C)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C(NC1=CC=CC(=C1)C#N)N[C@H](C)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C23H25N3O4/c1-4-29-22(27)20(23(28)30-5-2)21(25-16(3)18-11-7-6-8-12-18)26-19-13-9-10-17(14-19)15-24/h6-14,16,25-26H,4-5H2,1-3H3/t16-/m1/s1