(2R,3S,6S,7R,10Z)-3,6-dimethyl-2,7-diphenethyl-1,8-dioxa-4-azacyclododec-10-en-5-one

Systemtic Name: (2R,3S,6S,7R,10Z)-3,6-dimethyl-2,7-diphenethyl-1,8-dioxa-4-azacyclododec-10-en-5-one Openeye Name: (2R,3S,6S,7R,10Z)-3,6-dimethyl-2,7-diphenethyl-1,8-dioxa-4-azacyclododec-10-en-5-one CAS Name: (2R,3S,6S,7R,10Z)-3,6-dimethyl-2,7-diphenethyl-1,8-dioxa-4-azacyclododec-10-en-5-one IUPAC Name: (2R,3S,6S,7R,10Z)-3,6-dimethyl-2,7-diphenethyl-1,8-dioxa-4-azacyclododec-10-en-5-one Traditional Name: (2R,3S,6S,7R,10Z)-3,6-dimethyl-2,7-diphenethyl-1,8-dioxa-4-azacyclododec-10-en-5-one Formula: C27H35NO3 MolecularWeight: 421.5717

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OCC=CCOC(C(NC1=O)C)CCC2=CC=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1[C@H](OC/C=C\CO[C@@H]([C@@H](NC1=O)C)CCC2=CC=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C27H35NO3/c1-21-25(17-15-23-11-5-3-6-12-23)30-19-9-10-20-31-26(22(2)28-27(21)29)18-16-24-13-7-4-8-14-24/h3-14,21-22,25-26H,15-20H2,1-2H3,(H,28,29)/b10-9-/t21-,22-,25+,26+/m0/s1