2H-benzotriazol-4-yl 5-[bis(azanyl)methylideneamino]-2-[(triphenylmethyl)amino]pentanoate

Systemtic Name: 2H-benzotriazol-4-yl 5-[bis(azanyl)methylideneamino]-2-[(triphenylmethyl)amino]pentanoate Openeye Name: 2H-benzotriazol-4-yl 5-guanidino-2-(tritylamino)pentanoate CAS Name: 5-(diaminomethylideneamino)-2-[(triphenylmethyl)amino]pentanoic acid 2H-benzotriazol-4-yl ester IUPAC Name: 2H-benzotriazol-4-yl 5-(diaminomethylideneamino)-2-(tritylamino)pentanoate Traditional Name: 5-guanidino-2-(tritylamino)valeric acid 2H-benzotriazol-4-yl ester Formula: C31H31N7O2 MolecularWeight: 533.62354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(CCCN=C(N)N)C(=O)OC4=CC=CC5=NNN=C54

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(CCCN=C(N)N)C(=O)OC4=CC=CC5=NNN=C54

InChI

InChI=1S/C31H31N7O2/c32-30(33)34-21-11-19-26(29(39)40-27-20-10-18-25-28(27)37-38-36-25)35-31(22-12-4-1-5-13-22,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-10,12-18,20,26,35H,11,19,21H2,(H4,32,33,34)(H,36,37,38)