3-[[(5-bromanyl-2-methoxy-phenyl)methylamino]methyl]-1-[(4-ethenylphenyl)methyl]-6-methyl-indole-2-carboxylic acid

Systemtic Name: 3-[[(5-bromanyl-2-methoxy-phenyl)methylamino]methyl]-1-[(4-ethenylphenyl)methyl]-6-methyl-indole-2-carboxylic acid Openeye Name: 3-[[(5-bromo-2-methoxy-phenyl)methylamino]methyl]-6-methyl-1-[(4-vinylphenyl)methyl]indole-2-carboxylic acid CAS Name: 3-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]-1-[(4-ethenylphenyl)methyl]-6-methyl-2-indolecarboxylic acid IUPAC Name: 3-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]-1-[(4-ethenylphenyl)methyl]-6-methylindole-2-carboxylic acid Traditional Name: 3-[[(5-bromo-2-methoxy-benzyl)amino]methyl]-6-methyl-1-(4-vinylbenzyl)indole-2-carboxylic acid Formula: C28H27BrN2O3 MolecularWeight: 519.42958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2CC3=CC=C(C=C3)C=C)C(=O)O)CNCC4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2CC3=CC=C(C=C3)C=C)C(=O)O)CNCC4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C28H27BrN2O3/c1-4-19-6-8-20(9-7-19)17-31-25-13-18(2)5-11-23(25)24(27(31)28(32)33)16-30-15-21-14-22(29)10-12-26(21)34-3/h4-14,30H,1,15-17H2,2-3H3,(H,32,33)