2-[[5-[2-(4-methoxyphenyl)ethynyl]thiophen-2-yl]methylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[5-[2-(4-methoxyphenyl)ethynyl]thiophen-2-yl]methylamino]-3-methyl-butanoic acid Openeye Name: 2-[[5-[2-(4-methoxyphenyl)ethynyl]-2-thienyl]methylamino]-3-methyl-butanoic acid CAS Name: 2-[[5-[2-(4-methoxyphenyl)ethynyl]-2-thiophenyl]methylamino]-3-methylbutanoic acid IUPAC Name: 2-[[5-[2-(4-methoxyphenyl)ethynyl]thiophen-2-yl]methylamino]-3-methylbutanoic acid Traditional Name: 2-[[5-[2-(4-methoxyphenyl)ethynyl]-2-thienyl]methylamino]-3-methyl-butyric acid Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC1=CC=C(S1)C#CC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(C(=O)O)NCC1=CC=C(S1)C#CC2=CC=C(C=C2)OC

InChI

InChI=1S/C19H21NO3S/c1-13(2)18(19(21)22)20-12-17-11-10-16(24-17)9-6-14-4-7-15(23-3)8-5-14/h4-5,7-8,10-11,13,18,20H,12H2,1-3H3,(H,21,22)