3-bromanyl-1-[(3-cyanophenyl)methyl]-4-methyl-indole-2-carboxylic acid

Systemtic Name: 3-bromanyl-1-[(3-cyanophenyl)methyl]-4-methyl-indole-2-carboxylic acid Openeye Name: 3-bromo-1-[(3-cyanophenyl)methyl]-4-methyl-indole-2-carboxylic acid CAS Name: 3-bromo-1-[(3-cyanophenyl)methyl]-4-methyl-2-indolecarboxylic acid IUPAC Name: 3-bromo-1-[(3-cyanophenyl)methyl]-4-methylindole-2-carboxylic acid Traditional Name: 3-bromo-1-(3-cyanobenzyl)-4-methyl-indole-2-carboxylic acid Formula: C18H13BrN2O2 MolecularWeight: 369.21202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=C2Br)C(=O)O)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=C2Br)C(=O)O)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H13BrN2O2/c1-11-4-2-7-14-15(11)16(19)17(18(22)23)21(14)10-13-6-3-5-12(8-13)9-20/h2-8H,10H2,1H3,(H,22,23)