9-[4-(3-azanylprop-1-ynyl)phenoxy]-1,4,7-triazecane-1,4,7-tricarboxylic acid

Systemtic Name: 9-[4-(3-azanylprop-1-ynyl)phenoxy]-1,4,7-triazecane-1,4,7-tricarboxylic acid Openeye Name: 9-[4-(3-aminoprop-1-ynyl)phenoxy]-1,4,7-triazecane-1,4,7-tricarboxylic acid CAS Name: 9-[4-(3-aminoprop-1-ynyl)phenoxy]-1,4,7-triazecane-1,4,7-tricarboxylic acid IUPAC Name: 9-[4-(3-aminoprop-1-ynyl)phenoxy]-1,4,7-triazecane-1,4,7-tricarboxylic acid Traditional Name: 9-[4-(3-aminoprop-1-ynyl)phenoxy]-1,4,7-triazecane-1,4,7-tricarboxylic acid Formula: C19H24N4O7 MolecularWeight: 420.41646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(CN(CCN1C(=O)O)C(=O)O)OC2=CC=C(C=C2)C#CCN)C(=O)O

Isomeric SMILES

C1CN(CC(CN(CCN1C(=O)O)C(=O)O)OC2=CC=C(C=C2)C#CCN)C(=O)O

InChI

InChI=1S/C19H24N4O7/c20-7-1-2-14-3-5-15(6-4-14)30-16-12-22(18(26)27)10-8-21(17(24)25)9-11-23(13-16)19(28)29/h3-6,16H,7-13,20H2,(H,24,25)(H,26,27)(H,28,29)