(phenylmethyl) 2-[2-oxidanylidene-3-(1,4,7,10-tetrazacyclododec-1-yl)pyrrolidin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-oxidanylidene-3-(1,4,7,10-tetrazacyclododec-1-yl)pyrrolidin-1-yl]ethanoate Openeye Name: benzyl 2-[2-oxo-3-(1,4,7,10-tetrazacyclododec-1-yl)pyrrolidin-1-yl]acetate CAS Name: 2-[2-oxo-3-(1,4,7,10-tetrazacyclododec-1-yl)-1-pyrrolidinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-oxo-3-(1,4,7,10-tetrazacyclododec-1-yl)pyrrolidin-1-yl]acetate Traditional Name: 2-[2-keto-3-(1,4,7,10-tetrazacyclododec-1-yl)pyrrolidino]acetic acid benzyl ester Formula: C21H33N5O3 MolecularWeight: 403.51842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1N2CCNCCNCCNCC2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)C1N2CCNCCNCCNCC2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H33N5O3/c27-20(29-17-18-4-2-1-3-5-18)16-26-13-6-19(21(26)28)25-14-11-23-9-7-22-8-10-24-12-15-25/h1-5,19,22-24H,6-17H2