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

Systemtic Name: O1-tert-butyl O4-(phenylmethyl) 3-[bis(phenylmethyl)amino]-2-(3-oxidanylpropyl)butanedioate Openeye Name: O1-benzyl O4-tert-butyl 2-(dibenzylamino)-3-(3-hydroxypropyl)butanedioate CAS Name: 3-[bis(phenylmethyl)amino]-2-(3-hydroxypropyl)butanedioic acid O1-tert-butyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-tert-butyl 3-(dibenzylamino)-2-(3-hydroxypropyl)butanedioate Traditional Name: 2-(dibenzylamino)-3-(3-hydroxypropyl)succinic acid O1-benzyl ester O4-tert-butyl ester Formula: C32H39NO5 MolecularWeight: 517.65576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H39NO5/c1-32(2,3)38-30(35)28(20-13-21-34)29(31(36)37-24-27-18-11-6-12-19-27)33(22-25-14-7-4-8-15-25)23-26-16-9-5-10-17-26/h4-12,14-19,28-29,34H,13,20-24H2,1-3H3