1-[6-[2-[3,4-bis(oxidanyl)phenyl]ethylamino]hexyl]-1-phenyl-urea

Systemtic Name: 1-[6-[2-[3,4-bis(oxidanyl)phenyl]ethylamino]hexyl]-1-phenyl-urea Openeye Name: 1-[6-[2-(3,4-dihydroxyphenyl)ethylamino]hexyl]-1-phenyl-urea CAS Name: 1-[6-[2-(3,4-dihydroxyphenyl)ethylamino]hexyl]-1-phenylurea IUPAC Name: 1-[6-[2-(3,4-dihydroxyphenyl)ethylamino]hexyl]-1-phenylurea Traditional Name: 1-[6-[2-(3,4-dihydroxyphenyl)ethylamino]hexyl]-1-phenyl-urea Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCCCCCNCCC2=CC(=C(C=C2)O)O)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N(CCCCCCNCCC2=CC(=C(C=C2)O)O)C(=O)N

InChI

InChI=1S/C21H29N3O3/c22-21(27)24(18-8-4-3-5-9-18)15-7-2-1-6-13-23-14-12-17-10-11-19(25)20(26)16-17/h3-5,8-11,16,23,25-26H,1-2,6-7,12-15H2,(H2,22,27)