2-[4,7-bis(carboxymethyl)-10-[[1-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanyl-2-oxidanylidene-pyridin-4-yl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[4,7-bis(carboxymethyl)-10-[[1-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanyl-2-oxidanylidene-pyridin-4-yl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,7-bis(carboxymethyl)-10-[[1-(2-ethoxy-2-oxo-ethyl)-3-hydroxy-2-oxo-4-pyridyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4,7-bis(carboxymethyl)-10-[[1-(2-ethoxy-2-oxoethyl)-3-hydroxy-2-oxo-4-pyridinyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,7-bis(carboxymethyl)-10-[[1-(2-ethoxy-2-oxoethyl)-3-hydroxy-2-oxopyridin-4-yl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4,7-bis(carboxymethyl)-10-[[1-(2-ethoxy-2-keto-ethyl)-3-hydroxy-2-keto-4-pyridyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C24H37N5O10 MolecularWeight: 555.57808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=CC(=C(C1=O)O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

CCOC(=O)CN1C=CC(=C(C1=O)O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C24H37N5O10/c1-2-39-22(36)17-29-4-3-18(23(37)24(29)38)13-25-5-7-26(14-19(30)31)9-11-28(16-21(34)35)12-10-27(8-6-25)15-20(32)33/h3-4,37H,2,5-17H2,1H3,(H,30,31)(H,32,33)(H,34,35)