1-butyl-3-[3-chloranyl-4-[2-oxidanyl-3-(propan-2-ylamino)butoxy]phenyl]urea; methanoic acid

Systemtic Name: 1-butyl-3-[3-chloranyl-4-[2-oxidanyl-3-(propan-2-ylamino)butoxy]phenyl]urea; methanoic acid Openeye Name: 1-butyl-3-[3-chloro-4-[2-hydroxy-3-(isopropylamino)butoxy]phenyl]urea; formic acid CAS Name: 1-butyl-3-[3-chloro-4-[2-hydroxy-3-(propan-2-ylamino)butoxy]phenyl]urea; formic acid IUPAC Name: 1-butyl-3-[3-chloro-4-[2-hydroxy-3-(propan-2-ylamino)butoxy]phenyl]urea; formic acid Traditional Name: 1-butyl-3-[3-chloro-4-[2-hydroxy-3-(isopropylamino)butoxy]phenyl]urea; formic acid Formula: C19H32ClN3O5 MolecularWeight: 417.92748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC(=C(C=C1)OCC(C(C)NC(C)C)O)Cl.C(=O)O

Isomeric SMILES

CCCCNC(=O)NC1=CC(=C(C=C1)OCC(C(C)NC(C)C)O)Cl.C(=O)O

InChI

InChI=1S/C18H30ClN3O3.CH2O2/c1-5-6-9-20-18(24)22-14-7-8-17(15(19)10-14)25-11-16(23)13(4)21-12(2)3;2-1-3/h7-8,10,12-13,16,21,23H,5-6,9,11H2,1-4H3,(H2,20,22,24);1H,(H,2,3)