1-[(5-bromanyl-2-methoxy-phenyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(5-methyl-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(5-methyl-2-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(5-methyl-2-thienyl)methyl]pipecolinic acid Formula: C19H22BrNO3S MolecularWeight: 424.35188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=C(C=CC(=C2)Br)OC)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=C(C=CC(=C2)Br)OC)N3CCCCC3C(=O)O

InChI

InChI=1S/C19H22BrNO3S/c1-12-6-9-17(25-12)18(14-11-13(20)7-8-16(14)24-2)21-10-4-3-5-15(21)19(22)23/h6-9,11,15,18H,3-5,10H2,1-2H3,(H,22,23)