ditert-butyl 2-[(R)-(4-methylphenyl)-(phenylmethoxycarbonylamino)methyl]propanedioate

Systemtic Name: ditert-butyl 2-[(R)-(4-methylphenyl)-(phenylmethoxycarbonylamino)methyl]propanedioate Openeye Name: ditert-butyl 2-[(R)-benzyloxycarbonylamino(p-tolyl)methyl]propanedioate CAS Name: 2-[(R)-(4-methylphenyl)-(phenylmethoxycarbonylamino)methyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[(R)-(4-methylphenyl)-(phenylmethoxycarbonylamino)methyl]propanedioate Traditional Name: 2-[(R)-benzyloxycarbonylamino(p-tolyl)methyl]malonic acid ditert-butyl ester Formula: C27H35NO6 MolecularWeight: 469.5699

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H35NO6/c1-18-13-15-20(16-14-18)22(28-25(31)32-17-19-11-9-8-10-12-19)21(23(29)33-26(2,3)4)24(30)34-27(5,6)7/h8-16,21-22H,17H2,1-7H3,(H,28,31)/t22-/m0/s1