[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-ethoxy-3-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-ethoxy-3-methoxy-benzoate Openeye Name: [2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-methoxybenzoic acid [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid [2-keto-2-[[(1S)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)CCC2=CC=CC=C2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N[C@@H](C)CCC2=CC=CC=C2)OC

InChI

InChI=1S/C22H27NO5/c1-4-27-19-13-12-18(14-20(19)26-3)22(25)28-15-21(24)23-16(2)10-11-17-8-6-5-7-9-17/h5-9,12-14,16H,4,10-11,15H2,1-3H3,(H,23,24)/t16-/m0/s1