1-[(5-bromanyl-2-methoxy-phenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(4-methyl-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(4-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(4-methyl-2-thienyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=C(C=CC(=C2)Br)OC)N3CCCC(C3)C(=O)O

InChI

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