sodium (1R,6S)-6-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: sodium (1R,6S)-6-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: sodium (1R,6S)-6-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: sodium (1R,6S)-6-[[2-(1H-indol-3-yl)ethylamino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: sodium (1R,6S)-6-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: sodium (1R,6S)-6-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylate Formula: C18H19N2NaO3 MolecularWeight: 334.34483

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NCCC2=CNC3=CC=CC=C32)C(=O)[O-].[Na+]

Isomeric SMILES

C1C=CC[C@H]([C@H]1C(=O)NCCC2=CNC3=CC=CC=C32)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H20N2O3.Na/c21-17(14-6-1-2-7-15(14)18(22)23)19-10-9-12-11-20-16-8-4-3-5-13(12)16;/h1-5,8,11,14-15,20H,6-7,9-10H2,(H,19,21)(H,22,23);/q;+1/p-1/t14-,15+;/m0./s1