3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]-1-ethyl-indole-2-carboxylic acid

Systemtic Name: 3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]-1-ethyl-indole-2-carboxylic acid Openeye Name: 3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl]-1-ethyl-indole-2-carboxylic acid CAS Name: 3-[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]-1-ethyl-2-indolecarboxylic acid IUPAC Name: 3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1-ethylindole-2-carboxylic acid Traditional Name: 3-[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl]-1-ethyl-indole-2-carboxylic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCCC3=CCCCC3

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCCC3=CCCCC3

InChI

InChI=1S/C21H26N2O3/c1-2-23-18-11-7-6-10-16(18)17(20(23)21(25)26)14-19(24)22-13-12-15-8-4-3-5-9-15/h6-8,10-11H,2-5,9,12-14H2,1H3,(H,22,24)(H,25,26)