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

Systemtic Name: (phenylmethyl) 2-[2-oxidanylidene-3-(1,4,7,10-tetrazacyclododec-1-yl)piperidin-1-yl]ethanoate Openeye Name: benzyl 2-[2-oxo-3-(1,4,7,10-tetrazacyclododec-1-yl)-1-piperidyl]acetate CAS Name: 2-[2-oxo-3-(1,4,7,10-tetrazacyclododec-1-yl)-1-piperidinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-oxo-3-(1,4,7,10-tetrazacyclododec-1-yl)piperidin-1-yl]acetate Traditional Name: 2-[2-keto-3-(1,4,7,10-tetrazacyclododec-1-yl)piperidino]acetic acid benzyl ester Formula: C22H35N5O3 MolecularWeight: 417.545

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)CC(=O)OCC2=CC=CC=C2)N3CCNCCNCCNCC3

Isomeric SMILES

C1CC(C(=O)N(C1)CC(=O)OCC2=CC=CC=C2)N3CCNCCNCCNCC3

InChI

InChI=1S/C22H35N5O3/c28-21(30-18-19-5-2-1-3-6-19)17-27-14-4-7-20(22(27)29)26-15-12-24-10-8-23-9-11-25-13-16-26/h1-3,5-6,20,23-25H,4,7-18H2