4-[[(2S)-butan-2-yl]-[(4-dimethylaminophenyl)methyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(2S)-butan-2-yl]-[(4-dimethylaminophenyl)methyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(4-dimethylaminophenyl)methyl-[(1S)-1-methylpropyl]amino]-4-oxo-butanoate CAS Name: 4-[[(2S)-butan-2-yl]-[(4-dimethylaminophenyl)methyl]amino]-4-oxobutanoate IUPAC Name: 4-[[(2S)-butan-2-yl]-[(4-dimethylaminophenyl)methyl]amino]-4-oxobutanoate Traditional Name: 4-[[4-(dimethylamino)benzyl]-[(1S)-1-methylpropyl]amino]-4-keto-butyrate Formula: C17H25N2O3- MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)N(C)C)C(=O)CCC(=O)[O-]

Isomeric SMILES

CC[C@H](C)N(CC1=CC=C(C=C1)N(C)C)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H26N2O3/c1-5-13(2)19(16(20)10-11-17(21)22)12-14-6-8-15(9-7-14)18(3)4/h6-9,13H,5,10-12H2,1-4H3,(H,21,22)/p-1/t13-/m0/s1