(phenylmethyl) N-[2-[7-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-4,10-dimethyl-1,4,7,10-tetrazacyclododec-1-yl]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-[7-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-4,10-dimethyl-1,4,7,10-tetrazacyclododec-1-yl]-2-oxidanylidene-ethyl]carbamate Openeye Name: benzyl N-[2-[7-[2-(cyclohexylamino)-2-oxo-ethyl]-4,10-dimethyl-1,4,7,10-tetrazacyclododec-1-yl]-2-oxo-ethyl]carbamate CAS Name: N-[2-[7-[2-(cyclohexylamino)-2-oxoethyl]-4,10-dimethyl-1,4,7,10-tetrazacyclododec-1-yl]-2-oxoethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[7-[2-(cyclohexylamino)-2-oxoethyl]-4,10-dimethyl-1,4,7,10-tetrazacyclododec-1-yl]-2-oxoethyl]carbamate Traditional Name: N-[2-[7-[2-(cyclohexylamino)-2-keto-ethyl]-4,10-dimethyl-1,4,7,10-tetrazacyclododec-1-yl]-2-keto-ethyl]carbamic acid benzyl ester Formula: C28H46N6O4 MolecularWeight: 530.70264

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CCN(CCN(CC1)C(=O)CNC(=O)OCC2=CC=CC=C2)C)CC(=O)NC3CCCCC3

Isomeric SMILES

CN1CCN(CCN(CCN(CC1)C(=O)CNC(=O)OCC2=CC=CC=C2)C)CC(=O)NC3CCCCC3

InChI

InChI=1S/C28H46N6O4/c1-31-13-17-33(22-26(35)30-25-11-7-4-8-12-25)18-14-32(2)16-20-34(19-15-31)27(36)21-29-28(37)38-23-24-9-5-3-6-10-24/h3,5-6,9-10,25H,4,7-8,11-23H2,1-2H3,(H,29,37)(H,30,35)