tert-butyl (2S)-3-(1,3-benzodioxol-5-yl)-2-[(diphenylmethylidene)amino]propanoate

Systemtic Name: tert-butyl (2S)-3-(1,3-benzodioxol-5-yl)-2-[(diphenylmethylidene)amino]propanoate Openeye Name: tert-butyl (2S)-2-(benzhydrylideneamino)-3-(1,3-benzodioxol-5-yl)propanoate CAS Name: (2S)-3-(1,3-benzodioxol-5-yl)-2-[(diphenylmethylene)amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(benzhydrylideneamino)-3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: (2S)-2-(benzhydrylideneamino)-3-(1,3-benzodioxol-5-yl)propionic acid tert-butyl ester Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC2=C(C=C1)OCO2)N=C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC2=C(C=C1)OCO2)N=C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27NO4/c1-27(2,3)32-26(29)22(16-19-14-15-23-24(17-19)31-18-30-23)28-25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,17,22H,16,18H2,1-3H3/t22-/m0/s1