[(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate

Systemtic Name: [(1S)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate Openeye Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate CAS Name: 3-(ethoxymethyl)-4-methoxybenzoic acid [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(ethoxymethyl)-4-methoxybenzoate Traditional Name: 3-(ethoxymethyl)-4-methoxy-benzoic acid [(1S)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3CC3)OC

InChI

InChI=1S/C22H25NO5/c1-3-27-14-17-13-16(9-12-19(17)26-2)22(25)28-20(15-7-5-4-6-8-15)21(24)23-18-10-11-18/h4-9,12-13,18,20H,3,10-11,14H2,1-2H3,(H,23,24)/t20-/m0/s1