1-[1-benzothiophen-3-yl-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(4-benzyloxy-3-ethoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(4-benzoxy-3-ethoxy-phenyl)methyl]pipecolinic acid Formula: C30H31NO4S MolecularWeight: 501.63644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H31NO4S/c1-2-34-27-18-22(15-16-26(27)35-19-21-10-4-3-5-11-21)29(31-17-9-8-13-25(31)30(32)33)24-20-36-28-14-7-6-12-23(24)28/h3-7,10-12,14-16,18,20,25,29H,2,8-9,13,17,19H2,1H3,(H,32,33)