(Z)-4-[[(2S)-3-methyl-1-phenylmethoxy-butan-2-yl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-4-[[(2S)-3-methyl-1-phenylmethoxy-butan-2-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-[[(1S)-1-(benzyloxymethyl)-2-methyl-propyl]amino]-4-oxo-but-2-enoic acid CAS Name: (Z)-4-[[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]amino]-4-oxo-2-butenoic acid IUPAC Name: (Z)-4-[[(2S)-3-methyl-1-phenylmethoxybutan-2-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (Z)-4-[[(1S)-1-(benzoxymethyl)-2-methyl-propyl]amino]-4-keto-but-2-enoic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(COCC1=CC=CC=C1)NC(=O)C=CC(=O)O

Isomeric SMILES

CC(C)[C@@H](COCC1=CC=CC=C1)NC(=O)/C=C\C(=O)O

InChI

InChI=1S/C16H21NO4/c1-12(2)14(17-15(18)8-9-16(19)20)11-21-10-13-6-4-3-5-7-13/h3-9,12,14H,10-11H2,1-2H3,(H,17,18)(H,19,20)/b9-8-/t14-/m1/s1