3-[2-[butyl(methyl)amino]-2-oxidanylidene-ethyl]-5-chloranyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-[2-[butyl(methyl)amino]-2-oxidanylidene-ethyl]-5-chloranyl-1H-indole-2-carboxylic acid Openeye Name: 3-[2-[butyl(methyl)amino]-2-oxo-ethyl]-5-chloro-1H-indole-2-carboxylic acid CAS Name: 3-[2-[butyl(methyl)amino]-2-oxoethyl]-5-chloro-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-[butyl(methyl)amino]-2-oxoethyl]-5-chloro-1H-indole-2-carboxylic acid Traditional Name: 3-[2-[butyl(methyl)amino]-2-keto-ethyl]-5-chloro-1H-indole-2-carboxylic acid Formula: C16H19ClN2O3 MolecularWeight: 322.78666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)CC1=C(NC2=C1C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CCCCN(C)C(=O)CC1=C(NC2=C1C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C16H19ClN2O3/c1-3-4-7-19(2)14(20)9-12-11-8-10(17)5-6-13(11)18-15(12)16(21)22/h5-6,8,18H,3-4,7,9H2,1-2H3,(H,21,22)