ethyl 3-[4,10-bis(3-ethoxy-3-oxidanylidene-propyl)-7-[[4-[(3-triethoxysilylpropylamino)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]propanoate

Systemtic Name: ethyl 3-[4,10-bis(3-ethoxy-3-oxidanylidene-propyl)-7-[[4-[(3-triethoxysilylpropylamino)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]propanoate Openeye Name: ethyl 3-[4,10-bis(3-ethoxy-3-oxo-propyl)-7-[[4-[(3-triethoxysilylpropylamino)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]propanoate CAS Name: 3-[4,10-bis(3-ethoxy-3-oxopropyl)-7-[[4-[(3-triethoxysilylpropylamino)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4,10-bis(3-ethoxy-3-oxopropyl)-7-[[4-[(3-triethoxysilylpropylamino)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]propanoate Traditional Name: 3-[4,10-bis(3-ethoxy-3-keto-propyl)-7-[4-[(3-triethoxysilylpropylamino)methyl]benzyl]-1,4,7,10-tetrazacyclododec-1-yl]propionic acid ethyl ester Formula: C40H73N5O9Si MolecularWeight: 796.12122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CCN(CCN(CCN(CC1)CCC(=O)OCC)CC2=CC=C(C=C2)CNCCC[Si](OCC)(OCC)OCC)CCC(=O)OCC

Isomeric SMILES

CCOC(=O)CCN1CCN(CCN(CCN(CC1)CCC(=O)OCC)CC2=CC=C(C=C2)CNCCC[Si](OCC)(OCC)OCC)CCC(=O)OCC

InChI

InChI=1S/C40H73N5O9Si/c1-7-49-38(46)18-22-42-25-27-43(23-19-39(47)50-8-2)29-31-45(32-30-44(28-26-42)24-20-40(48)51-9-3)35-37-16-14-36(15-17-37)34-41-21-13-33-55(52-10-4,53-11-5)54-12-6/h14-17,41H,7-13,18-35H2,1-6H3