2-[4-[3-(4-azanylphenoxy)-2-oxidanyl-propyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[4-[3-(4-azanylphenoxy)-2-oxidanyl-propyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4-[3-(4-aminophenoxy)-2-hydroxy-propyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4-[3-(4-aminophenoxy)-2-hydroxypropyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4-[3-(4-aminophenoxy)-2-hydroxypropyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4-[3-(4-aminophenoxy)-2-hydroxy-propyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C23H37N5O8 MolecularWeight: 511.56858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CC(COC2=CC=C(C=C2)N)O)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CCN(CCN(CCN1CC(COC2=CC=C(C=C2)N)O)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C23H37N5O8/c24-18-1-3-20(4-2-18)36-17-19(29)13-25-5-7-26(14-21(30)31)9-11-28(16-23(34)35)12-10-27(8-6-25)15-22(32)33/h1-4,19,29H,5-17,24H2,(H,30,31)(H,32,33)(H,34,35)