2-[2-bromanyl-5-methoxy-1-(phenylmethyl)indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-bromanyl-5-methoxy-1-(phenylmethyl)indol-3-yl]ethanoic acid Openeye Name: 2-(1-benzyl-2-bromo-5-methoxy-indol-3-yl)acetic acid CAS Name: 2-[2-bromo-5-methoxy-1-(phenylmethyl)-3-indolyl]acetic acid IUPAC Name: 2-(1-benzyl-2-bromo-5-methoxyindol-3-yl)acetic acid Traditional Name: 2-(1-benzyl-2-bromo-5-methoxy-indol-3-yl)acetic acid Formula: C18H16BrNO3 MolecularWeight: 374.22854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=C2CC(=O)O)Br)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=C2CC(=O)O)Br)CC3=CC=CC=C3

InChI

InChI=1S/C18H16BrNO3/c1-23-13-7-8-16-14(9-13)15(10-17(21)22)18(19)20(16)11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,21,22)