2-[1-(4-butoxyphenyl)carbonyl-2,5-dimethyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(4-butoxyphenyl)carbonyl-2,5-dimethyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(4-butoxybenzoyl)-2,5-dimethyl-indol-3-yl]acetic acid CAS Name: 2-[1-[(4-butoxyphenyl)-oxomethyl]-2,5-dimethyl-3-indolyl]acetic acid IUPAC Name: 2-[1-(4-butoxybenzoyl)-2,5-dimethylindol-3-yl]acetic acid Traditional Name: 2-[1-(4-butoxybenzoyl)-2,5-dimethyl-indol-3-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=C2C=CC(=C3)C)CC(=O)O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(=C(C3=C2C=CC(=C3)C)CC(=O)O)C

InChI

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