methyl (2R)-2-[[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxo-butanoyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[4-(1,3-benzodioxol-5-ylmethylamino)-1,4-dioxobutyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutanoyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[4-keto-4-(piperonylamino)butanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C19H26N2O6 MolecularWeight: 378.41954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CCC(=O)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)CCC(=O)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C19H26N2O6/c1-12(2)8-14(19(24)25-3)21-18(23)7-6-17(22)20-10-13-4-5-15-16(9-13)27-11-26-15/h4-5,9,12,14H,6-8,10-11H2,1-3H3,(H,20,22)(H,21,23)/t14-/m1/s1