tert-butyl 2-[(2S,6S,8E)-5,12-bis(oxidanylidene)-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]ethanoate

Systemtic Name: tert-butyl 2-[(2S,6S,8E)-5,12-bis(oxidanylidene)-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]ethanoate Openeye Name: tert-butyl 2-[(2S,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetate CAS Name: 2-[(2S,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2S,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetate Traditional Name: 2-[(2S,6S,8E)-5,12-diketo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetic acid tert-butyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1CC=CCCC(=O)OC(CNC1=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H]1C/C=C/CCC(=O)O[C@H](CNC1=O)C2=CC=CC=C2

InChI

InChI=1S/C22H29NO5/c1-22(2,3)28-20(25)14-17-12-8-5-9-13-19(24)27-18(15-23-21(17)26)16-10-6-4-7-11-16/h4-8,10-11,17-18H,9,12-15H2,1-3H3,(H,23,26)/b8-5+/t17-,18+/m0/s1