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

Systemtic Name: methyl 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-4-methyl-pentanoate CAS Name: 2-[[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoate Traditional Name: 4-methyl-2-[(4-piperonylpiperazine-1-carbonyl)amino]valeric acid methyl ester Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5/c1-14(2)10-16(19(24)26-3)21-20(25)23-8-6-22(7-9-23)12-15-4-5-17-18(11-15)28-13-27-17/h4-5,11,14,16H,6-10,12-13H2,1-3H3,(H,21,25)