dimethyl (4S)-2-cyano-4-[(triphenylmethyl)amino]pentanedioate

Systemtic Name: dimethyl (4S)-2-cyano-4-[(triphenylmethyl)amino]pentanedioate Openeye Name: dimethyl (4S)-2-cyano-4-(tritylamino)pentanedioate CAS Name: (4S)-2-cyano-4-[(triphenylmethyl)amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (4S)-2-cyano-4-(tritylamino)pentanedioate Traditional Name: (4S)-2-cyano-4-(tritylamino)glutaric acid dimethyl ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(C(=O)OC)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)[C@H](CC(C#N)C(=O)OC)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H26N2O4/c1-32-25(30)20(19-28)18-24(26(31)33-2)29-27(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24,29H,18H2,1-2H3/t20?,24-/m0/s1