2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid Traditional Name: 4-methyl-2-[(4-piperonylpiperazine-1-carbonyl)amino]valeric acid Formula: C19H27N3O5 MolecularWeight: 377.43478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H27N3O5/c1-13(2)9-15(18(23)24)20-19(25)22-7-5-21(6-8-22)11-14-3-4-16-17(10-14)27-12-26-16/h3-4,10,13,15H,5-9,11-12H2,1-2H3,(H,20,25)(H,23,24)