(phenylmethyl) 2-methyl-5-(3-oxidanylidenebutan-2-yloxy)-1H-indole-3-carboxylate

Systemtic Name: (phenylmethyl) 2-methyl-5-(3-oxidanylidenebutan-2-yloxy)-1H-indole-3-carboxylate Openeye Name: benzyl 2-methyl-5-(1-methyl-2-oxo-propoxy)-1H-indole-3-carboxylate CAS Name: 2-methyl-5-(3-oxobutan-2-yloxy)-1H-indole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methyl-5-(3-oxobutan-2-yloxy)-1H-indole-3-carboxylate Traditional Name: 5-(2-keto-1-methyl-propoxy)-2-methyl-1H-indole-3-carboxylic acid benzyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)OC(C)C(=O)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)OC(C)C(=O)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21NO4/c1-13-20(21(24)25-12-16-7-5-4-6-8-16)18-11-17(9-10-19(18)22-13)26-15(3)14(2)23/h4-11,15,22H,12H2,1-3H3