1-[(5-bromanyl-2-methoxy-phenyl)-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(5-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(5-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(5-methyl-2-thienyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C(C2=C(C=CC(=C2)Br)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H22BrNO3S/c1-12-5-8-17(25-12)18(15-10-14(20)6-7-16(15)24-2)21-9-3-4-13(11-21)19(22)23/h5-8,10,13,18H,3-4,9,11H2,1-2H3,(H,22,23)