1-[(2-chlorophenyl)methyl]-3-ethanoyl-2-propyl-indole-6-carboxylate

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-ethanoyl-2-propyl-indole-6-carboxylate Openeye Name: 3-acetyl-1-[(2-chlorophenyl)methyl]-2-propyl-indole-6-carboxylate CAS Name: 3-acetyl-1-[(2-chlorophenyl)methyl]-2-propyl-6-indolecarboxylate IUPAC Name: 3-acetyl-1-[(2-chlorophenyl)methyl]-2-propylindole-6-carboxylate Traditional Name: 3-acetyl-1-(2-chlorobenzyl)-2-propyl-indole-6-carboxylate Formula: C21H19ClNO3- MolecularWeight: 368.83346

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)[O-])C(=O)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)[O-])C(=O)C

InChI

InChI=1S/C21H20ClNO3/c1-3-6-18-20(13(2)24)16-10-9-14(21(25)26)11-19(16)23(18)12-15-7-4-5-8-17(15)22/h4-5,7-11H,3,6,12H2,1-2H3,(H,25,26)/p-1