1-(1,3-benzodioxol-5-ylmethyl)-3-[2,6-di(propan-2-yl)phenyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2,6-di(propan-2-yl)phenyl]urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2,6-diisopropylphenyl)urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2,6-di(propan-2-yl)phenyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2,6-di(propan-2-yl)phenyl]urea Traditional Name: 1-(2,6-diisopropylphenyl)-3-piperonyl-urea Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H26N2O3/c1-13(2)16-6-5-7-17(14(3)4)20(16)23-21(24)22-11-15-8-9-18-19(10-15)26-12-25-18/h5-10,13-14H,11-12H2,1-4H3,(H2,22,23,24)