[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-phenylbenzoate

Systemtic Name: [2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-phenylbenzoate Openeye Name: [2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxo-ethyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C25H25NO5 MolecularWeight: 419.4697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=C(C=CC(=C1)OC)OC)NC(=O)COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H25NO5/c1-17(22-15-21(29-2)13-14-23(22)30-3)26-24(27)16-31-25(28)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15,17H,16H2,1-3H3,(H,26,27)/t17-/m0/s1