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

Systemtic Name: 2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylamino]-3-methyl-butanoic acid Openeye Name: 2-[[5-(4-methoxyphenyl)-2-thienyl]methylamino]-3-methyl-butanoic acid CAS Name: 2-[[5-(4-methoxyphenyl)-2-thiophenyl]methylamino]-3-methylbutanoic acid IUPAC Name: 2-[[5-(4-methoxyphenyl)thiophen-2-yl]methylamino]-3-methylbutanoic acid Traditional Name: 2-[[5-(4-methoxyphenyl)-2-thienyl]methylamino]-3-methyl-butyric acid Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3S/c1-11(2)16(17(19)20)18-10-14-8-9-15(22-14)12-4-6-13(21-3)7-5-12/h4-9,11,16,18H,10H2,1-3H3,(H,19,20)