2-[3-chloranyl-4-[3-(1-phenyl-4-propyl-benzotriazol-5-yl)oxypropylamino]phenyl]ethanoic acid

Systemtic Name: 2-[3-chloranyl-4-[3-(1-phenyl-4-propyl-benzotriazol-5-yl)oxypropylamino]phenyl]ethanoic acid Openeye Name: 2-[3-chloro-4-[3-(1-phenyl-4-propyl-benzotriazol-5-yl)oxypropylamino]phenyl]acetic acid CAS Name: 2-[3-chloro-4-[3-[(1-phenyl-4-propyl-5-benzotriazolyl)oxy]propylamino]phenyl]acetic acid IUPAC Name: 2-[3-chloro-4-[3-(1-phenyl-4-propylbenzotriazol-5-yl)oxypropylamino]phenyl]acetic acid Traditional Name: 2-[3-chloro-4-[3-(1-phenyl-4-propyl-benzotriazol-5-yl)oxypropylamino]phenyl]acetic acid Formula: C26H27ClN4O3 MolecularWeight: 478.97058

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1N=NN2C3=CC=CC=C3)OCCCNC4=C(C=C(C=C4)CC(=O)O)Cl

Isomeric SMILES

CCCC1=C(C=CC2=C1N=NN2C3=CC=CC=C3)OCCCNC4=C(C=C(C=C4)CC(=O)O)Cl

InChI

InChI=1S/C26H27ClN4O3/c1-2-7-20-24(13-12-23-26(20)29-30-31(23)19-8-4-3-5-9-19)34-15-6-14-28-22-11-10-18(16-21(22)27)17-25(32)33/h3-5,8-13,16,28H,2,6-7,14-15,17H2,1H3,(H,32,33)