2-[1-(4-butoxyphenyl)carbonyl-2,3-dimethyl-indol-4-yl]ethanoic acid

Systemtic Name: 2-[1-(4-butoxyphenyl)carbonyl-2,3-dimethyl-indol-4-yl]ethanoic acid Openeye Name: 2-[1-(4-butoxybenzoyl)-2,3-dimethyl-indol-4-yl]acetic acid CAS Name: 2-[1-[(4-butoxyphenyl)-oxomethyl]-2,3-dimethyl-4-indolyl]acetic acid IUPAC Name: 2-[1-(4-butoxybenzoyl)-2,3-dimethylindol-4-yl]acetic acid Traditional Name: 2-[1-(4-butoxybenzoyl)-2,3-dimethyl-indol-4-yl]acetic acid Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2C(=C(C3=C(C=CC=C32)CC(=O)O)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(=C(C3=C(C=CC=C32)CC(=O)O)C)C

InChI

InChI=1S/C23H25NO4/c1-4-5-13-28-19-11-9-17(10-12-19)23(27)24-16(3)15(2)22-18(14-21(25)26)7-6-8-20(22)24/h6-12H,4-5,13-14H2,1-3H3,(H,25,26)