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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C=C2C(=O)C(=O)O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C=C2C(=O)C(=O)O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)C(C)(C)C

InChI

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