2-[4,7-bis(carboxymethyl)-6-methyl-6-phenylmethoxy-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[4,7-bis(carboxymethyl)-6-methyl-6-phenylmethoxy-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[6-benzyloxy-4,7-bis(carboxymethyl)-6-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4,7-bis(carboxymethyl)-6-methyl-6-phenylmethoxy-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,7-bis(carboxymethyl)-6-methyl-6-phenylmethoxy-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[6-benzoxy-4,7-bis(carboxymethyl)-6-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C22H34N4O7 MolecularWeight: 466.52796

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN(CCNCCN1CC(=O)O)CC(=O)O)CC(=O)O)OCC2=CC=CC=C2

Isomeric SMILES

CC1(CN(CCN(CCNCCN1CC(=O)O)CC(=O)O)CC(=O)O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H34N4O7/c1-22(33-16-18-5-3-2-4-6-18)17-25(14-20(29)30)12-11-24(13-19(27)28)9-7-23-8-10-26(22)15-21(31)32/h2-6,23H,7-17H2,1H3,(H,27,28)(H,29,30)(H,31,32)