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

Systemtic Name: (phenylmethyl) 2-[2-(1,4,7,10-tetrazacyclododec-1-yl)propanoylamino]ethanoate Openeye Name: benzyl 2-[2-(1,4,7,10-tetrazacyclododec-1-yl)propanoylamino]acetate CAS Name: 2-[[1-oxo-2-(1,4,7,10-tetrazacyclododec-1-yl)propyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(1,4,7,10-tetrazacyclododec-1-yl)propanoylamino]acetate Traditional Name: 2-[2-(1,4,7,10-tetrazacyclododec-1-yl)propanoylamino]acetic acid benzyl ester Formula: C20H33N5O3 MolecularWeight: 391.50772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)OCC1=CC=CC=C1)N2CCNCCNCCNCC2

Isomeric SMILES

CC(C(=O)NCC(=O)OCC1=CC=CC=C1)N2CCNCCNCCNCC2

InChI

InChI=1S/C20H33N5O3/c1-17(25-13-11-22-9-7-21-8-10-23-12-14-25)20(27)24-15-19(26)28-16-18-5-3-2-4-6-18/h2-6,17,21-23H,7-16H2,1H3,(H,24,27)