[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(3-ethoxy-4-oxidanyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(3-ethoxy-4-oxidanyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(3-ethoxy-4-hydroxy-phenyl)-4-oxo-butanoate CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-4-keto-butyric acid [2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl] ester Formula: C22H25NO6 MolecularWeight: 399.437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)OCC(=O)NC(C)C2=CC=CC=C2)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)OCC(=O)N[C@@H](C)C2=CC=CC=C2)O

InChI

InChI=1S/C22H25NO6/c1-3-28-20-13-17(9-10-19(20)25)18(24)11-12-22(27)29-14-21(26)23-15(2)16-7-5-4-6-8-16/h4-10,13,15,25H,3,11-12,14H2,1-2H3,(H,23,26)/t15-/m0/s1