(phenylmethyl) 8,17-bis(oxidanylidene)-1,7-diazacycloheptadecane-2-carboxylate

Systemtic Name: (phenylmethyl) 8,17-bis(oxidanylidene)-1,7-diazacycloheptadecane-2-carboxylate Openeye Name: benzyl 8,17-dioxo-1,7-diazacycloheptadecane-2-carboxylate CAS Name: 8,17-dioxo-1,7-diazacycloheptadecane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 8,17-dioxo-1,7-diazacycloheptadecane-2-carboxylate Traditional Name: 8,17-diketo-1,7-diazacycloheptadecane-2-carboxylic acid benzyl ester Formula: C23H34N2O4 MolecularWeight: 402.52706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCC(=O)NC(CCCCNC(=O)CCC1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CCCCC(=O)NC(CCCCNC(=O)CCC1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H34N2O4/c26-21-15-8-3-1-2-4-9-16-22(27)25-20(14-10-11-17-24-21)23(28)29-18-19-12-6-5-7-13-19/h5-7,12-13,20H,1-4,8-11,14-18H2,(H,24,26)(H,25,27)