(phenylmethyl) 2-[2-(1,4,7,10-tetrazacyclododec-1-yl)ethanoylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-(1,4,7,10-tetrazacyclododec-1-yl)ethanoylamino]ethanoate Openeye Name: benzyl 2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-(1,4,7,10-tetrazacyclododec-1-yl)ethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]acetate Traditional Name: 2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]acetic acid benzyl ester Formula: C19H31N5O3 MolecularWeight: 377.48114

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCNCCN1)CC(=O)NCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CNCCN(CCNCCN1)CC(=O)NCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H31N5O3/c25-18(23-14-19(26)27-16-17-4-2-1-3-5-17)15-24-12-10-21-8-6-20-7-9-22-11-13-24/h1-5,20-22H,6-16H2,(H,23,25)