5-bromanyl-3-[(4-ethylphenyl)methyl]indole-1-carboxylic acid

Systemtic Name: 5-bromanyl-3-[(4-ethylphenyl)methyl]indole-1-carboxylic acid Openeye Name: 5-bromo-3-[(4-ethylphenyl)methyl]indole-1-carboxylic acid CAS Name: 5-bromo-3-[(4-ethylphenyl)methyl]-1-indolecarboxylic acid IUPAC Name: 5-bromo-3-[(4-ethylphenyl)methyl]indole-1-carboxylic acid Traditional Name: 5-bromo-3-(4-ethylbenzyl)indole-1-carboxylic acid Formula: C18H16BrNO2 MolecularWeight: 358.22914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=CN(C3=C2C=C(C=C3)Br)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=CN(C3=C2C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C18H16BrNO2/c1-2-12-3-5-13(6-4-12)9-14-11-20(18(21)22)17-8-7-15(19)10-16(14)17/h3-8,10-11H,2,9H2,1H3,(H,21,22)