tert-butyl 4-oxidanylidene-5-phenyl-8-(1-phenylethyl)-8-azabicyclo[3.2.1]oct-2-ene-7-carboxylate

Systemtic Name: tert-butyl 4-oxidanylidene-5-phenyl-8-(1-phenylethyl)-8-azabicyclo[3.2.1]oct-2-ene-7-carboxylate Openeye Name: tert-butyl 4-oxo-5-phenyl-8-(1-phenylethyl)-8-azabicyclo[3.2.1]oct-2-ene-7-carboxylate CAS Name: 4-oxo-5-phenyl-8-(1-phenylethyl)-8-azabicyclo[3.2.1]oct-2-ene-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-oxo-5-phenyl-8-(1-phenylethyl)-8-azabicyclo[3.2.1]oct-2-ene-7-carboxylate Traditional Name: 4-keto-5-phenyl-8-(1-phenylethyl)-8-azabicyclo[3.2.1]oct-2-ene-7-carboxylic acid tert-butyl ester Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C3C=CC(=O)C2(CC3C(=O)OC(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=CC=C1)N2C3C=CC(=O)C2(CC3C(=O)OC(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H29NO3/c1-18(19-11-7-5-8-12-19)27-22-15-16-23(28)26(27,20-13-9-6-10-14-20)17-21(22)24(29)30-25(2,3)4/h5-16,18,21-22H,17H2,1-4H3