[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 2H-chromene-3-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 2H-chromene-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] 2H-chromene-3-carboxylate CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 2H-chromene-3-carboxylate Traditional Name: 2H-chromene-3-carboxylic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylbutyl]amino]ethyl] ester Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC(=O)C1=CC2=CC=CC=C2OC1)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)OC(=O)C1=CC2=CC=CC=C2OC1)C3=CC=CC=C3

InChI

InChI=1S/C23H25NO4/c1-3-17(18-9-5-4-6-10-18)14-24-22(25)16(2)28-23(26)20-13-19-11-7-8-12-21(19)27-15-20/h4-13,16-17H,3,14-15H2,1-2H3,(H,24,25)/t16-,17+/m0/s1