5-chloranyl-3-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-1H-indole-2-carboxylate

Systemtic Name: 5-chloranyl-3-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-1H-indole-2-carboxylate Openeye Name: 5-chloro-3-[2-(isopentylamino)-2-oxo-ethyl]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[2-(3-methylbutylamino)-2-oxoethyl]-1H-indole-2-carboxylate IUPAC Name: 5-chloro-3-[2-(3-methylbutylamino)-2-oxoethyl]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[2-(isoamylamino)-2-keto-ethyl]-1H-indole-2-carboxylate Formula: C16H18ClN2O3- MolecularWeight: 321.77872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CC1=C(NC2=C1C=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)CC1=C(NC2=C1C=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C16H19ClN2O3/c1-9(2)5-6-18-14(20)8-12-11-7-10(17)3-4-13(11)19-15(12)16(21)22/h3-4,7,9,19H,5-6,8H2,1-2H3,(H,18,20)(H,21,22)/p-1