4-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]-4-phenyl-piperidine-1-carboxylic acid

Systemtic Name: 4-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]-4-phenyl-piperidine-1-carboxylic acid Openeye Name: 4-[2-oxo-2-(2-thienylmethylamino)ethyl]-4-phenyl-piperidine-1-carboxylic acid CAS Name: 4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-phenyl-1-piperidinecarboxylic acid IUPAC Name: 4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-phenylpiperidine-1-carboxylic acid Traditional Name: 4-[2-keto-2-(2-thenylamino)ethyl]-4-phenyl-piperidine-1-carboxylic acid Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC(=O)NCC2=CC=CS2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CN(CCC1(CC(=O)NCC2=CC=CS2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H22N2O3S/c22-17(20-14-16-7-4-12-25-16)13-19(15-5-2-1-3-6-15)8-10-21(11-9-19)18(23)24/h1-7,12H,8-11,13-14H2,(H,20,22)(H,23,24)