1-(4-butoxyphenyl)carbonyl-5-methoxy-indole-3-carboxylic acid

Systemtic Name: 1-(4-butoxyphenyl)carbonyl-5-methoxy-indole-3-carboxylic acid Openeye Name: 1-(4-butoxybenzoyl)-5-methoxy-indole-3-carboxylic acid CAS Name: 1-[(4-butoxyphenyl)-oxomethyl]-5-methoxy-3-indolecarboxylic acid IUPAC Name: 1-(4-butoxybenzoyl)-5-methoxyindole-3-carboxylic acid Traditional Name: 1-(4-butoxybenzoyl)-5-methoxy-indole-3-carboxylic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-3-4-11-27-15-7-5-14(6-8-15)20(23)22-13-18(21(24)25)17-12-16(26-2)9-10-19(17)22/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25)