[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-phenylmethoxybenzoate

Systemtic Name: [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-phenylmethoxybenzoate Openeye Name: [(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 3-benzyloxybenzoate CAS Name: 3-phenylmethoxybenzoic acid [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate Traditional Name: 3-benzoxybenzoic acid [(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C26H23NO4 MolecularWeight: 413.46512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)OC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H23NO4/c1-17-24(22-13-6-7-14-23(22)27-17)25(28)18(2)31-26(29)20-11-8-12-21(15-20)30-16-19-9-4-3-5-10-19/h3-15,18,27H,16H2,1-2H3/t18-/m0/s1