(phenylmethyl) 4-acetyloxy-3-(3-ethoxy-3-oxidanylidene-propyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-acetyloxy-3-(3-ethoxy-3-oxidanylidene-propyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate Openeye Name: benzyl 4-acetoxy-3-(3-ethoxy-3-oxo-propyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate CAS Name: 4-acetyloxy-3-(3-ethoxy-3-oxopropyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-acetyloxy-3-(3-ethoxy-3-oxopropyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate Traditional Name: 4-acetoxy-3-(3-ethoxy-3-keto-propyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid benzyl ester Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(NC2=C1C(CCC2)OC(=O)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCC1=C(NC2=C1C(CCC2)OC(=O)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H27NO6/c1-3-28-20(26)13-12-17-21-18(10-7-11-19(21)30-15(2)25)24-22(17)23(27)29-14-16-8-5-4-6-9-16/h4-6,8-9,19,24H,3,7,10-14H2,1-2H3