ethyl 2-[[2-(2-ethoxy-2-oxidanylidene-ethoxy)-5-[2-(1,4,7,10-tetrazacyclododec-1-yl)ethanoylamino]phenyl]methyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: ethyl 2-[[2-(2-ethoxy-2-oxidanylidene-ethoxy)-5-[2-(1,4,7,10-tetrazacyclododec-1-yl)ethanoylamino]phenyl]methyl-(2-ethoxy-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: ethyl 2-[[2-(2-ethoxy-2-oxo-ethoxy)-5-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]phenyl]methyl-(2-ethoxy-2-oxo-ethyl)amino]acetate CAS Name: 2-[[2-(2-ethoxy-2-oxoethoxy)-5-[[1-oxo-2-(1,4,7,10-tetrazacyclododec-1-yl)ethyl]amino]phenyl]methyl-(2-ethoxy-2-oxoethyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-ethoxy-2-oxoethoxy)-5-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]phenyl]methyl-(2-ethoxy-2-oxoethyl)amino]acetate Traditional Name: 2-[[2-(2-ethoxy-2-keto-ethoxy)-5-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]benzyl]-(2-ethoxy-2-keto-ethyl)amino]acetic acid ethyl ester Formula: C29H48N6O8 MolecularWeight: 608.72682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=C(C=CC(=C1)NC(=O)CN2CCNCCNCCNCC2)OCC(=O)OCC)CC(=O)OCC

Isomeric SMILES

CCOC(=O)CN(CC1=C(C=CC(=C1)NC(=O)CN2CCNCCNCCNCC2)OCC(=O)OCC)CC(=O)OCC

InChI

InChI=1S/C29H48N6O8/c1-4-40-27(37)20-35(21-28(38)41-5-2)18-23-17-24(7-8-25(23)43-22-29(39)42-6-3)33-26(36)19-34-15-13-31-11-9-30-10-12-32-14-16-34/h7-8,17,30-32H,4-6,9-16,18-22H2,1-3H3,(H,33,36)