1-[(5-bromanyl-2-methoxy-phenyl)-(4-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(4-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(4-methyl-2-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]isonipecotic acid Formula: C19H22BrNO3S MolecularWeight: 424.35188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H22BrNO3S/c1-12-9-17(25-11-12)18(15-10-14(20)3-4-16(15)24-2)21-7-5-13(6-8-21)19(22)23/h3-4,9-11,13,18H,5-8H2,1-2H3,(H,22,23)