2-[1-[(4-tert-butylphenyl)methyl]-5-(3-methoxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[1-[(4-tert-butylphenyl)methyl]-5-(3-methoxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[1-[(4-tert-butylphenyl)methyl]-5-(3-methoxyphenyl)indol-3-yl]-2-oxo-acetic acid CAS Name: 2-[1-[(4-tert-butylphenyl)methyl]-5-(3-methoxyphenyl)-3-indolyl]-2-oxoacetic acid IUPAC Name: 2-[1-[(4-tert-butylphenyl)methyl]-5-(3-methoxyphenyl)indol-3-yl]-2-oxoacetic acid Traditional Name: 2-[1-(4-tert-butylbenzyl)-5-(3-methoxyphenyl)indol-3-yl]-2-keto-acetic acid Formula: C28H27NO4 MolecularWeight: 441.51828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)C4=CC(=CC=C4)OC)C(=O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)C4=CC(=CC=C4)OC)C(=O)C(=O)O

InChI

InChI=1S/C28H27NO4/c1-28(2,3)21-11-8-18(9-12-21)16-29-17-24(26(30)27(31)32)23-15-20(10-13-25(23)29)19-6-5-7-22(14-19)33-4/h5-15,17H,16H2,1-4H3,(H,31,32)