[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-(hydroxymethyl)benzoate

Systemtic Name: [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 4-(hydroxymethyl)benzoate Openeye Name: [(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic 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] 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid [(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)C3=CC=C(C=C3)CO

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO4/c1-12-18(16-5-3-4-6-17(16)21-12)19(23)13(2)25-20(24)15-9-7-14(11-22)8-10-15/h3-10,13,21-22H,11H2,1-2H3/t13-/m0/s1