[(2S)-1-oxidanylidene-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 3,4-dimethoxybenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 3,4-dimethoxybenzoate Openeye Name: [(1S)-1-methyl-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [(1S)-2-keto-1-methyl-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H27NO5/c1-15(10-11-17-8-6-5-7-9-17)23-21(24)16(2)28-22(25)18-12-13-19(26-3)20(14-18)27-4/h5-9,12-16H,10-11H2,1-4H3,(H,23,24)/t15-,16+/m1/s1