[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-(aminocarbonylamino)-4-methyl-pentanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-(aminocarbonylamino)-4-methyl-pentanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 4-methyl-2-ureido-pentanoate CAS Name: 2-(carbamoylamino)-4-methylpentanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate Traditional Name: 4-methyl-2-ureido-valeric acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)N

Isomeric SMILES

CC(C)CC(C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)N

InChI

InChI=1S/C17H23N3O6/c1-10(2)5-12(20-17(18)23)16(22)24-8-15(21)19-7-11-3-4-13-14(6-11)26-9-25-13/h3-4,6,10,12H,5,7-9H2,1-2H3,(H,19,21)(H3,18,20,23)