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

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(5-methyl-2-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-(5-methyl-2-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(5-methyl-2-thienyl)methyl]pipecolinic acid Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=C(S2)C)N3CCCCC3C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=C(S2)C)N3CCCCC3C(=O)O)OC

InChI

InChI=1S/C21H27NO4S/c1-4-26-17-10-9-15(13-18(17)25-3)20(19-11-8-14(2)27-19)22-12-6-5-7-16(22)21(23)24/h8-11,13,16,20H,4-7,12H2,1-3H3,(H,23,24)