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

Systemtic Name: (phenylmethyl) 4-cyano-3-(3-ethoxy-3-oxidanylidene-propyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate Openeye Name: benzyl 4-cyano-3-(3-ethoxy-3-oxo-propyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate CAS Name: 4-cyano-3-(3-ethoxy-3-oxopropyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-cyano-3-(3-ethoxy-3-oxopropyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate Traditional Name: 4-cyano-3-(3-ethoxy-3-keto-propyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid benzyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-2-27-19(25)12-11-17-20-16(13-23)9-6-10-18(20)24-21(17)22(26)28-14-15-7-4-3-5-8-15/h3-5,7-8,16,24H,2,6,9-12,14H2,1H3