methyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-ethanoyl-2-propyl-indole-6-carboxylate

Systemtic Name: methyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-ethanoyl-2-propyl-indole-6-carboxylate Openeye Name: methyl 3-acetyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-indole-6-carboxylate CAS Name: 3-acetyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-acetyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propylindole-6-carboxylate Traditional Name: 3-acetyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-indole-6-carboxylic acid methyl ester Formula: C23H22ClNO5 MolecularWeight: 427.87748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC4=C(C=C3Cl)OCO4)C=C(C=C2)C(=O)OC)C(=O)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC4=C(C=C3Cl)OCO4)C=C(C=C2)C(=O)OC)C(=O)C

InChI

InChI=1S/C23H22ClNO5/c1-4-5-18-22(13(2)26)16-7-6-14(23(27)28-3)8-19(16)25(18)11-15-9-20-21(10-17(15)24)30-12-29-20/h6-10H,4-5,11-12H2,1-3H3