3-[(5-nonyl-1-benzothiophen-2-yl)methylamino]propanoic acid

Systemtic Name: 3-[(5-nonyl-1-benzothiophen-2-yl)methylamino]propanoic acid Openeye Name: 3-[(5-nonylbenzothiophen-2-yl)methylamino]propanoic acid CAS Name: 3-[(5-nonyl-1-benzothiophen-2-yl)methylamino]propanoic acid IUPAC Name: 3-[(5-nonyl-1-benzothiophen-2-yl)methylamino]propanoic acid Traditional Name: 3-[(5-nonylbenzothiophen-2-yl)methylamino]propionic acid Formula: C21H31NO2S MolecularWeight: 361.54134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC2=C(C=C1)SC(=C2)CNCCC(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC2=C(C=C1)SC(=C2)CNCCC(=O)O

InChI

InChI=1S/C21H31NO2S/c1-2-3-4-5-6-7-8-9-17-10-11-20-18(14-17)15-19(25-20)16-22-13-12-21(23)24/h10-11,14-15,22H,2-9,12-13,16H2,1H3,(H,23,24)