[4-[2-[[3-(2-cyanophenoxy)-2-oxidanyl-propyl]amino]ethylcarbamoylamino]phenyl] benzoate

Systemtic Name: [4-[2-[[3-(2-cyanophenoxy)-2-oxidanyl-propyl]amino]ethylcarbamoylamino]phenyl] benzoate Openeye Name: [4-[2-[[3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]ethylcarbamoylamino]phenyl] benzoate CAS Name: benzoic acid [4-[[[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethylamino]-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethylcarbamoylamino]phenyl] benzoate Traditional Name: benzoic acid [4-[2-[[3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]ethylcarbamoylamino]phenyl] ester Formula: C26H26N4O5 MolecularWeight: 474.50844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)NC(=O)NCCNCC(COC3=CC=CC=C3C#N)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)NC(=O)NCCNCC(COC3=CC=CC=C3C#N)O

InChI

InChI=1S/C26H26N4O5/c27-16-20-8-4-5-9-24(20)34-18-22(31)17-28-14-15-29-26(33)30-21-10-12-23(13-11-21)35-25(32)19-6-2-1-3-7-19/h1-13,22,28,31H,14-15,17-18H2,(H2,29,30,33)