[(2S)-1-oxidanylidene-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 9H-xanthene-9-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 9H-xanthene-9-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [(1S)-2-keto-1-methyl-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C25H23NO4 MolecularWeight: 401.45442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C25H23NO4/c1-16(18-10-4-3-5-11-18)26-24(27)17(2)29-25(28)23-19-12-6-8-14-21(19)30-22-15-9-7-13-20(22)23/h3-17,23H,1-2H3,(H,26,27)/t16-,17+/m1/s1