3-[(4-methoxy-3-methyl-phenyl)methylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[(4-methoxy-3-methyl-phenyl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(4-methoxy-3-methyl-phenyl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(4-methoxy-3-methylphenyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(4-methoxy-3-methylphenyl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(4-methoxy-3-methyl-benzyl)amino]-3-(2-thienyl)propionic acid Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(CC(=O)O)C2=CC=CS2)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(CC(=O)O)C2=CC=CS2)OC

InChI

InChI=1S/C16H19NO3S/c1-11-8-12(5-6-14(11)20-2)10-17-13(9-16(18)19)15-4-3-7-21-15/h3-8,13,17H,9-10H2,1-2H3,(H,18,19)