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

Systemtic Name: 2-[1-butyl-5-(4-methoxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[1-butyl-5-(4-methoxyphenyl)indol-3-yl]-2-oxo-acetic acid CAS Name: 2-[1-butyl-5-(4-methoxyphenyl)-3-indolyl]-2-oxoacetic acid IUPAC Name: 2-[1-butyl-5-(4-methoxyphenyl)indol-3-yl]-2-oxoacetic acid Traditional Name: 2-[1-butyl-5-(4-methoxyphenyl)indol-3-yl]-2-keto-acetic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=C1C=CC(=C2)C3=CC=C(C=C3)OC)C(=O)C(=O)O

Isomeric SMILES

CCCCN1C=C(C2=C1C=CC(=C2)C3=CC=C(C=C3)OC)C(=O)C(=O)O

InChI

InChI=1S/C21H21NO4/c1-3-4-11-22-13-18(20(23)21(24)25)17-12-15(7-10-19(17)22)14-5-8-16(26-2)9-6-14/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25)