(E,2S)-4-(3-methylphenyl)-2-(phenylmethoxycarbonylamino)but-3-enoic acid

Systemtic Name: (E,2S)-4-(3-methylphenyl)-2-(phenylmethoxycarbonylamino)but-3-enoic acid Openeye Name: (E,2S)-2-(benzyloxycarbonylamino)-4-(m-tolyl)but-3-enoic acid CAS Name: (E,2S)-4-(3-methylphenyl)-2-(phenylmethoxycarbonylamino)-3-butenoic acid IUPAC Name: (E,2S)-4-(3-methylphenyl)-2-(phenylmethoxycarbonylamino)but-3-enoic acid Traditional Name: (E,2S)-2-(benzyloxycarbonylamino)-4-(m-tolyl)but-3-enoic acid Formula: C19H19NO4 MolecularWeight: 325.35846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H19NO4/c1-14-6-5-9-15(12-14)10-11-17(18(21)22)20-19(23)24-13-16-7-3-2-4-8-16/h2-12,17H,13H2,1H3,(H,20,23)(H,21,22)/b11-10+/t17-/m0/s1