methyl (2R)-2-(1H-indol-3-ylmethyl)-2-methyl-3,13-bis(oxidanylidene)-1,4-diazacyclotridecane-5-carboxylate

Systemtic Name: methyl (2R)-2-(1H-indol-3-ylmethyl)-2-methyl-3,13-bis(oxidanylidene)-1,4-diazacyclotridecane-5-carboxylate Openeye Name: methyl (2R)-2-(1H-indol-3-ylmethyl)-2-methyl-3,13-dioxo-1,4-diazacyclotridecane-5-carboxylate CAS Name: (2R)-2-(1H-indol-3-ylmethyl)-2-methyl-3,13-dioxo-1,4-diazacyclotridecane-5-carboxylic acid methyl ester IUPAC Name: methyl (2R)-2-(1H-indol-3-ylmethyl)-2-methyl-3,13-dioxo-1,4-diazacyclotridecane-5-carboxylate Traditional Name: (2R)-2-(1H-indol-3-ylmethyl)-3,13-diketo-2-methyl-1,4-diazacyclotridecane-5-carboxylic acid methyl ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC(CCCCCCCC(=O)N1)C(=O)OC)CC2=CNC3=CC=CC=C32

Isomeric SMILES

C[C@]1(C(=O)NC(CCCCCCCC(=O)N1)C(=O)OC)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C23H31N3O4/c1-23(14-16-15-24-18-11-9-8-10-17(16)18)22(29)25-19(21(28)30-2)12-6-4-3-5-7-13-20(27)26-23/h8-11,15,19,24H,3-7,12-14H2,1-2H3,(H,25,29)(H,26,27)/t19?,23-/m1/s1