1-[(3-methoxyphenyl)-thiophen-3-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3-methoxyphenyl)-thiophen-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)-(3-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)-(3-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)-thiophen-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-methoxyphenyl)-(3-thienyl)methyl]pipecolinic acid Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=CSC=C2)N3CCCCC3C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CSC=C2)N3CCCCC3C(=O)O

InChI

InChI=1S/C18H21NO3S/c1-22-15-6-4-5-13(11-15)17(14-8-10-23-12-14)19-9-3-2-7-16(19)18(20)21/h4-6,8,10-12,16-17H,2-3,7,9H2,1H3,(H,20,21)