1-[(4-ethenylphenyl)methyl]-3-[[(4-fluorophenyl)methylamino]methyl]-6-methyl-indole-2-carboxylic acid

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-3-[[(4-fluorophenyl)methylamino]methyl]-6-methyl-indole-2-carboxylic acid Openeye Name: 3-[[(4-fluorophenyl)methylamino]methyl]-6-methyl-1-[(4-vinylphenyl)methyl]indole-2-carboxylic acid CAS Name: 1-[(4-ethenylphenyl)methyl]-3-[[(4-fluorophenyl)methylamino]methyl]-6-methyl-2-indolecarboxylic acid IUPAC Name: 1-[(4-ethenylphenyl)methyl]-3-[[(4-fluorophenyl)methylamino]methyl]-6-methylindole-2-carboxylic acid Traditional Name: 3-[[(4-fluorobenzyl)amino]methyl]-6-methyl-1-(4-vinylbenzyl)indole-2-carboxylic acid Formula: C27H25FN2O2 MolecularWeight: 428.498003

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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=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C27H25FN2O2/c1-3-19-5-7-21(8-6-19)17-30-25-14-18(2)4-13-23(25)24(26(30)27(31)32)16-29-15-20-9-11-22(28)12-10-20/h3-14,29H,1,15-17H2,2H3,(H,31,32)