2,3-dimethyl-1-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]indole-5-carboxylic acid

Systemtic Name: 2,3-dimethyl-1-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]indole-5-carboxylic acid Openeye Name: 1-[2-(allylamino)-2-oxo-ethyl]-2,3-dimethyl-indole-5-carboxylic acid CAS Name: 2,3-dimethyl-1-[2-oxo-2-(prop-2-enylamino)ethyl]-5-indolecarboxylic acid IUPAC Name: 2,3-dimethyl-1-[2-oxo-2-(prop-2-enylamino)ethyl]indole-5-carboxylic acid Traditional Name: 1-[2-(allylamino)-2-keto-ethyl]-2,3-dimethyl-indole-5-carboxylic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(=O)O)CC(=O)NCC=C)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)O)CC(=O)NCC=C)C

InChI

InChI=1S/C16H18N2O3/c1-4-7-17-15(19)9-18-11(3)10(2)13-8-12(16(20)21)5-6-14(13)18/h4-6,8H,1,7,9H2,2-3H3,(H,17,19)(H,20,21)