5-[3-[(4-butylphenyl)methylamino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[(4-butylphenyl)methylamino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[(4-butylphenyl)methylamino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[(4-butylphenyl)methylamino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[(4-butylphenyl)methylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[(4-butylbenzyl)amino]propyl]-2-thenoic acid Formula: C19H25NO2S MolecularWeight: 331.4723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CNCCCC2=CC=C(S2)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)CNCCCC2=CC=C(S2)C(=O)O

InChI

InChI=1S/C19H25NO2S/c1-2-3-5-15-7-9-16(10-8-15)14-20-13-4-6-17-11-12-18(23-17)19(21)22/h7-12,20H,2-6,13-14H2,1H3,(H,21,22)