1-(4-butoxyphenyl)carbonyl-2-methyl-indole-4-carboxylic acid

Systemtic Name: 1-(4-butoxyphenyl)carbonyl-2-methyl-indole-4-carboxylic acid Openeye Name: 1-(4-butoxybenzoyl)-2-methyl-indole-4-carboxylic acid CAS Name: 1-[(4-butoxyphenyl)-oxomethyl]-2-methyl-4-indolecarboxylic acid IUPAC Name: 1-(4-butoxybenzoyl)-2-methylindole-4-carboxylic acid Traditional Name: 1-(4-butoxybenzoyl)-2-methyl-indole-4-carboxylic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2C(=CC3=C(C=CC=C32)C(=O)O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(=CC3=C(C=CC=C32)C(=O)O)C

InChI

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