2,4-bis[1-[(4-bromophenyl)methyl]-2-propan-2-yl-indol-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 2,4-bis[1-[(4-bromophenyl)methyl]-2-propan-2-yl-indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 2,4-bis[1-[(4-bromophenyl)methyl]-2-isopropyl-indol-3-yl]-4-oxo-butanoic acid CAS Name: 2,4-bis[1-[(4-bromophenyl)methyl]-2-propan-2-yl-3-indolyl]-4-oxobutanoic acid IUPAC Name: 2,4-bis[1-[(4-bromophenyl)methyl]-2-propan-2-ylindol-3-yl]-4-oxobutanoic acid Traditional Name: 2,4-bis[1-(4-bromobenzyl)-2-isopropyl-indol-3-yl]-4-keto-butyric acid Formula: C40H38Br2N2O3 MolecularWeight: 754.54932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)Br)C(CC(=O)C4=C(N(C5=CC=CC=C54)CC6=CC=C(C=C6)Br)C(C)C)C(=O)O

Isomeric SMILES

CC(C)C1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)Br)C(CC(=O)C4=C(N(C5=CC=CC=C54)CC6=CC=C(C=C6)Br)C(C)C)C(=O)O

InChI

InChI=1S/C40H38Br2N2O3/c1-24(2)38-36(30-9-5-7-11-33(30)43(38)22-26-13-17-28(41)18-14-26)32(40(46)47)21-35(45)37-31-10-6-8-12-34(31)44(39(37)25(3)4)23-27-15-19-29(42)20-16-27/h5-20,24-25,32H,21-23H2,1-4H3,(H,46,47)