2-[3-(4-hydroxyphenyl)-1-oxidanylidene-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-yl]guanidine

Systemtic Name: 2-[3-(4-hydroxyphenyl)-1-oxidanylidene-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-yl]guanidine Openeye Name: 2-[1-[(4-hydroxyphenyl)methyl]-2-oxo-2-(1,4,7,10-tetrazacyclododec-1-yl)ethyl]guanidine CAS Name: 2-[3-(4-hydroxyphenyl)-1-oxo-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-yl]guanidine IUPAC Name: 2-[3-(4-hydroxyphenyl)-1-oxo-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-yl]guanidine Traditional Name: 2-[1-(4-hydroxybenzyl)-2-keto-2-(1,4,7,10-tetrazacyclododec-1-yl)ethyl]guanidine Formula: C18H31N7O2 MolecularWeight: 377.48444

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCNCCN1)C(=O)C(CC2=CC=C(C=C2)O)N=C(N)N

Isomeric SMILES

C1CNCCN(CCNCCN1)C(=O)C(CC2=CC=C(C=C2)O)N=C(N)N

InChI

InChI=1S/C18H31N7O2/c19-18(20)24-16(13-14-1-3-15(26)4-2-14)17(27)25-11-9-22-7-5-21-6-8-23-10-12-25/h1-4,16,21-23,26H,5-13H2,(H4,19,20,24)