1-azanyl-3-[[3,4-bis(oxidanyl)phenyl]methyl]-1-phenethyl-urea

Systemtic Name: 1-azanyl-3-[[3,4-bis(oxidanyl)phenyl]methyl]-1-phenethyl-urea Openeye Name: 1-amino-3-[(3,4-dihydroxyphenyl)methyl]-1-phenethyl-urea CAS Name: 1-amino-3-[(3,4-dihydroxyphenyl)methyl]-1-phenethylurea IUPAC Name: 1-amino-3-[(3,4-dihydroxyphenyl)methyl]-1-phenethylurea Traditional Name: 1-amino-1-phenethyl-3-protocatechuyl-urea Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(C(=O)NCC2=CC(=C(C=C2)O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CCN(C(=O)NCC2=CC(=C(C=C2)O)O)N

InChI

InChI=1S/C16H19N3O3/c17-19(9-8-12-4-2-1-3-5-12)16(22)18-11-13-6-7-14(20)15(21)10-13/h1-7,10,20-21H,8-9,11,17H2,(H,18,22)