(phenylmethyl) 3-(4-methoxy-4-oxidanylidene-butanoyl)indole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-(4-methoxy-4-oxidanylidene-butanoyl)indole-1-carboxylate Openeye Name: benzyl 3-(4-methoxy-4-oxo-butanoyl)indole-1-carboxylate CAS Name: 3-(4-methoxy-1,4-dioxobutyl)-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-methoxy-4-oxobutanoyl)indole-1-carboxylate Traditional Name: 3-(4-keto-4-methoxy-butanoyl)indole-1-carboxylic acid benzyl ester Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=CN(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCC(=O)C1=CN(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H19NO5/c1-26-20(24)12-11-19(23)17-13-22(18-10-6-5-9-16(17)18)21(25)27-14-15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3