ditert-butyl 2,2-bis[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]propanedioate

Systemtic Name: ditert-butyl 2,2-bis[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]propanedioate Openeye Name: ditert-butyl 2,2-bis[3-(benzylamino)-3-oxo-propyl]propanedioate CAS Name: 2,2-bis[3-oxo-3-[(phenylmethyl)amino]propyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2,2-bis[3-(benzylamino)-3-oxopropyl]propanedioate Traditional Name: 2,2-bis[3-(benzylamino)-3-keto-propyl]malonic acid ditert-butyl ester Formula: C31H42N2O6 MolecularWeight: 538.67498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC(=O)NCC1=CC=CC=C1)(CCC(=O)NCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(CCC(=O)NCC1=CC=CC=C1)(CCC(=O)NCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H42N2O6/c1-29(2,3)38-27(36)31(28(37)39-30(4,5)6,19-17-25(34)32-21-23-13-9-7-10-14-23)20-18-26(35)33-22-24-15-11-8-12-16-24/h7-16H,17-22H2,1-6H3,(H,32,34)(H,33,35)