(phenylmethyl) 5-oxidanylidene-5-[10-(5-oxidanylidene-5-phenylmethoxy-pentanoyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]pentanoate

Systemtic Name: (phenylmethyl) 5-oxidanylidene-5-[10-(5-oxidanylidene-5-phenylmethoxy-pentanoyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]pentanoate Openeye Name: benzyl 5-[10-(5-benzyloxy-5-oxo-pentanoyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]-5-oxo-pentanoate CAS Name: 5-[10-(1,5-dioxo-5-phenylmethoxypentyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-oxo-5-[10-(5-oxo-5-phenylmethoxypentanoyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]pentanoate Traditional Name: 5-[10-(5-benzoxy-5-keto-pentanoyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]-5-keto-valeric acid benzyl ester Formula: C32H42N2O8 MolecularWeight: 582.68448

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN(CCOCCN1C(=O)CCCC(=O)OCC2=CC=CC=C2)C(=O)CCCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1COCCN(CCOCCN1C(=O)CCCC(=O)OCC2=CC=CC=C2)C(=O)CCCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C32H42N2O8/c35-29(13-7-15-31(37)41-25-27-9-3-1-4-10-27)33-17-21-39-23-19-34(20-24-40-22-18-33)30(36)14-8-16-32(38)42-26-28-11-5-2-6-12-28/h1-6,9-12H,7-8,13-26H2