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

Systemtic Name: (E)-4-[[(2S)-butan-2-yl]-(phenylmethyl)amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[benzyl-[(1S)-1-methylpropyl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(2S)-butan-2-yl]-(phenylmethyl)amino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[benzyl-[(2S)-butan-2-yl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-[benzyl-[(1S)-1-methylpropyl]amino]-4-keto-but-2-enoate Formula: C15H18NO3- MolecularWeight: 260.30832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3/c1-3-12(2)16(14(17)9-10-15(18)19)11-13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,18,19)/p-1/b10-9+/t12-/m0/s1