tert-butyl (2S)-2-[(diphenylmethylidene)amino]-4-(3-oxidanylidenecyclohexen-1-yl)butanoate

Systemtic Name: tert-butyl (2S)-2-[(diphenylmethylidene)amino]-4-(3-oxidanylidenecyclohexen-1-yl)butanoate Openeye Name: tert-butyl (2S)-2-(benzhydrylideneamino)-4-(3-oxocyclohexen-1-yl)butanoate CAS Name: (2S)-2-[(diphenylmethylene)amino]-4-(3-oxo-1-cyclohexenyl)butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(benzhydrylideneamino)-4-(3-oxocyclohexen-1-yl)butanoate Traditional Name: (2S)-2-(benzhydrylideneamino)-4-(3-ketocyclohexen-1-yl)butyric acid tert-butyl ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC1=CC(=O)CCC1)N=C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CCC1=CC(=O)CCC1)N=C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H31NO3/c1-27(2,3)31-26(30)24(18-17-20-11-10-16-23(29)19-20)28-25(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h4-9,12-15,19,24H,10-11,16-18H2,1-3H3/t24-/m0/s1