ditert-butyl 5-[1-oxidanyl-2-(1-phenylpropan-2-ylamino)ethyl]benzene-1,3-dicarboxylate

Systemtic Name: ditert-butyl 5-[1-oxidanyl-2-(1-phenylpropan-2-ylamino)ethyl]benzene-1,3-dicarboxylate Openeye Name: ditert-butyl 5-[1-hydroxy-2-[(1-methyl-2-phenyl-ethyl)amino]ethyl]benzene-1,3-dicarboxylate CAS Name: 5-[1-hydroxy-2-(1-phenylpropan-2-ylamino)ethyl]benzene-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 5-[1-hydroxy-2-(1-phenylpropan-2-ylamino)ethyl]benzene-1,3-dicarboxylate Traditional Name: 5-[1-hydroxy-2-[(1-methyl-2-phenyl-ethyl)amino]ethyl]benzene-1,3-dicarboxylic acid ditert-butyl ester Formula: C27H37NO5 MolecularWeight: 455.58638

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NCC(C2=CC(=CC(=C2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O

Isomeric SMILES

CC(CC1=CC=CC=C1)NCC(C2=CC(=CC(=C2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C27H37NO5/c1-18(13-19-11-9-8-10-12-19)28-17-23(29)20-14-21(24(30)32-26(2,3)4)16-22(15-20)25(31)33-27(5,6)7/h8-12,14-16,18,23,28-29H,13,17H2,1-7H3