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1-[(2-chlorophenyl)methyl]-2-ethyl-3-propyl-indole-6-carboxylic acid

1-[(2-chlorophenyl)methyl]-2-ethyl-3-propyl-indole-6-carboxylic acid

Systemtic Name:1-[(2-chlorophenyl)methyl]-2-ethyl-3-propyl-indole-6-carboxylic acid
Openeye Name:1-[(2-chlorophenyl)methyl]-2-ethyl-3-propyl-indole-6-carboxylic acid
CAS Name:1-[(2-chlorophenyl)methyl]-2-ethyl-3-propyl-6-indolecarboxylic acid
IUPAC Name:1-[(2-chlorophenyl)methyl]-2-ethyl-3-propylindole-6-carboxylic acid
Traditional Name:1-(2-chlorobenzyl)-2-ethyl-3-propyl-indole-6-carboxylic acid
Formula: C21H22ClNO2
MolecularWeight: 355.85788
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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C2=C1C=CC(=C2)C(=O)O)CC3=CC=CC=C3Cl)CC


Isomeric SMILES

CCCC1=C(N(C2=C1C=CC(=C2)C(=O)O)CC3=CC=CC=C3Cl)CC


InChI

InChI=1S/C21H22ClNO2/c1-3-7-16-17-11-10-14(21(24)25)12-20(17)23(19(16)4-2)13-15-8-5-6-9-18(15)22/h5-6,8-12H,3-4,7,13H2,1-2H3,(H,24,25)


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