4-(4-but-2-ynoxyphenyl)sulfanylpiperidine-4-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfanylpiperidine-4-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfanylpiperidine-4-carboxylic acid CAS Name: 4-[(4-but-2-ynoxyphenyl)thio]-4-piperidinecarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfanylpiperidine-4-carboxylic acid Traditional Name: 4-[(4-but-2-ynoxyphenyl)thio]isonipecotic acid Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SC2(CCNCC2)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC2(CCNCC2)C(=O)O

InChI

InChI=1S/C16H19NO3S/c1-2-3-12-20-13-4-6-14(7-5-13)21-16(15(18)19)8-10-17-11-9-16/h4-7,17H,8-12H2,1H3,(H,18,19)