(E)-4-[[(2S)-butan-2-yl]-[(4-dimethylaminophenyl)methyl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[[(2S)-butan-2-yl]-[(4-dimethylaminophenyl)methyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[(4-dimethylaminophenyl)methyl-[(1S)-1-methylpropyl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(2S)-butan-2-yl]-[(4-dimethylaminophenyl)methyl]amino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[[(2S)-butan-2-yl]-[(4-dimethylaminophenyl)methyl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[4-(dimethylamino)benzyl]-[(1S)-1-methylpropyl]amino]-4-keto-but-2-enoate Formula: C17H23N2O3- MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3/c1-5-13(2)19(16(20)10-11-17(21)22)12-14-6-8-15(9-7-14)18(3)4/h6-11,13H,5,12H2,1-4H3,(H,21,22)/p-1/b11-10+/t13-/m0/s1