O3-tert-butyl O1-methyl 4-(3-cyanophenyl)pyrrolidine-1,3-dicarboxylate

Systemtic Name: O3-tert-butyl O1-methyl 4-(3-cyanophenyl)pyrrolidine-1,3-dicarboxylate Openeye Name: O3-tert-butyl O1-methyl 4-(3-cyanophenyl)pyrrolidine-1,3-dicarboxylate CAS Name: 4-(3-cyanophenyl)pyrrolidine-1,3-dicarboxylic acid O3-tert-butyl ester O1-methyl ester IUPAC Name: 3-O-tert-butyl 1-O-methyl 4-(3-cyanophenyl)pyrrolidine-1,3-dicarboxylate Traditional Name: 4-(3-cyanophenyl)pyrrolidine-1,3-dicarboxylic acid O3-tert-butyl ester O1-methyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(CC1C2=CC=CC(=C2)C#N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1CN(CC1C2=CC=CC(=C2)C#N)C(=O)OC

InChI

InChI=1S/C18H22N2O4/c1-18(2,3)24-16(21)15-11-20(17(22)23-4)10-14(15)13-7-5-6-12(8-13)9-19/h5-8,14-15H,10-11H2,1-4H3