tert-butyl (2S)-2-[(diphenylmethylidene)amino]-3-(7-methyl-6-prop-2-enoxy-1,3-benzodioxol-5-yl)propanoate

Systemtic Name: tert-butyl (2S)-2-[(diphenylmethylidene)amino]-3-(7-methyl-6-prop-2-enoxy-1,3-benzodioxol-5-yl)propanoate Openeye Name: tert-butyl (2S)-3-(6-allyloxy-7-methyl-1,3-benzodioxol-5-yl)-2-(benzhydrylideneamino)propanoate CAS Name: (2S)-2-[(diphenylmethylene)amino]-3-(7-methyl-6-prop-2-enoxy-1,3-benzodioxol-5-yl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(benzhydrylideneamino)-3-(7-methyl-6-prop-2-enoxy-1,3-benzodioxol-5-yl)propanoate Traditional Name: (2S)-3-(6-allyloxy-7-methyl-1,3-benzodioxol-5-yl)-2-(benzhydrylideneamino)propionic acid tert-butyl ester Formula: C31H33NO5 MolecularWeight: 499.59742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=C1OCO2)CC(C(=O)OC(C)(C)C)N=C(C3=CC=CC=C3)C4=CC=CC=C4)OCC=C

Isomeric SMILES

CC1=C(C(=CC2=C1OCO2)C[C@@H](C(=O)OC(C)(C)C)N=C(C3=CC=CC=C3)C4=CC=CC=C4)OCC=C

InChI

InChI=1S/C31H33NO5/c1-6-17-34-28-21(2)29-26(35-20-36-29)19-24(28)18-25(30(33)37-31(3,4)5)32-27(22-13-9-7-10-14-22)23-15-11-8-12-16-23/h6-16,19,25H,1,17-18,20H2,2-5H3/t25-/m0/s1