O1-tert-butyl O4-(phenylmethyl) 3-[bis(phenylmethyl)amino]-2-(2-oxidanylideneethyl)butanedioate

Systemtic Name: O1-tert-butyl O4-(phenylmethyl) 3-[bis(phenylmethyl)amino]-2-(2-oxidanylideneethyl)butanedioate Openeye Name: O1-benzyl O4-tert-butyl 2-(dibenzylamino)-3-(2-oxoethyl)butanedioate CAS Name: 3-[bis(phenylmethyl)amino]-2-(2-oxoethyl)butanedioic acid O1-tert-butyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-tert-butyl 3-(dibenzylamino)-2-(2-oxoethyl)butanedioate Traditional Name: 2-(dibenzylamino)-3-(2-ketoethyl)succinic acid O1-benzyl ester O4-tert-butyl ester Formula: C31H35NO5 MolecularWeight: 501.6133

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC=O)C(C(=O)OCC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C(CC=O)C(C(=O)OCC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C31H35NO5/c1-31(2,3)37-29(34)27(19-20-33)28(30(35)36-23-26-17-11-6-12-18-26)32(21-24-13-7-4-8-14-24)22-25-15-9-5-10-16-25/h4-18,20,27-28H,19,21-23H2,1-3H3