(3S,4S)-3-[1,3-diethoxy-1,3-bis(oxidanylidene)-2-phenyl-propan-2-yl]-4-methoxy-hept-6-enoic acid

Systemtic Name: (3S,4S)-3-[1,3-diethoxy-1,3-bis(oxidanylidene)-2-phenyl-propan-2-yl]-4-methoxy-hept-6-enoic acid Openeye Name: (3S,4S)-3-(2-ethoxy-1-ethoxycarbonyl-2-oxo-1-phenyl-ethyl)-4-methoxy-hept-6-enoic acid CAS Name: (3S,4S)-3-(1,3-diethoxy-1,3-dioxo-2-phenylpropan-2-yl)-4-methoxy-6-heptenoic acid IUPAC Name: (3S,4S)-3-(1,3-diethoxy-1,3-dioxo-2-phenylpropan-2-yl)-4-methoxyhept-6-enoic acid Traditional Name: (3S,4S)-3-(1-carbethoxy-2-ethoxy-2-keto-1-phenyl-ethyl)-4-methoxy-hept-6-enoic acid Formula: C21H28O7 MolecularWeight: 392.44282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)(C(CC(=O)O)C(CC=C)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)([C@H](CC(=O)O)[C@H](CC=C)OC)C(=O)OCC

InChI

InChI=1S/C21H28O7/c1-5-11-17(26-4)16(14-18(22)23)21(19(24)27-6-2,20(25)28-7-3)15-12-9-8-10-13-15/h5,8-10,12-13,16-17H,1,6-7,11,14H2,2-4H3,(H,22,23)/t16-,17+/m1/s1