2-[3,6-bis(oxidanylidene)-5-phenyl-1,7-dioxa-2-azacyclododec-2-yl]-3-methyl-4-oxidanyl-butanoic acid

Systemtic Name: 2-[3,6-bis(oxidanylidene)-5-phenyl-1,7-dioxa-2-azacyclododec-2-yl]-3-methyl-4-oxidanyl-butanoic acid Openeye Name: 2-(3,6-dioxo-5-phenyl-1,7-dioxa-2-azacyclododec-2-yl)-4-hydroxy-3-methyl-butanoic acid CAS Name: 2-(3,6-dioxo-5-phenyl-1,7-dioxa-2-azacyclododec-2-yl)-4-hydroxy-3-methylbutanoic acid IUPAC Name: 2-(3,6-dioxo-5-phenyl-1,7-dioxa-2-azacyclododec-2-yl)-4-hydroxy-3-methylbutanoic acid Traditional Name: 2-(3,6-diketo-5-phenyl-1,7-dioxa-2-azacyclododec-2-yl)-4-hydroxy-3-methyl-butyric acid Formula: C20H27NO7 MolecularWeight: 393.43088

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C(C(=O)O)N1C(=O)CC(C(=O)OCCCCCO1)C2=CC=CC=C2

Isomeric SMILES

CC(CO)C(C(=O)O)N1C(=O)CC(C(=O)OCCCCCO1)C2=CC=CC=C2

InChI

InChI=1S/C20H27NO7/c1-14(13-22)18(19(24)25)21-17(23)12-16(15-8-4-2-5-9-15)20(26)27-10-6-3-7-11-28-21/h2,4-5,8-9,14,16,18,22H,3,6-7,10-13H2,1H3,(H,24,25)