methyl 5-bromanyl-3-[2-[1,3-dioxolan-2-ylmethyl(methyl)amino]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[2-[1,3-dioxolan-2-ylmethyl(methyl)amino]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[2-[1,3-dioxolan-2-ylmethyl(methyl)amino]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-[1,3-dioxolan-2-ylmethyl(methyl)amino]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[2-[1,3-dioxolan-2-ylmethyl(methyl)amino]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[2-[1,3-dioxolan-2-ylmethyl(methyl)amino]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C17H20BrN3O5 MolecularWeight: 426.2618

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1OCCO1)CC(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CN(CC1OCCO1)CC(=O)NC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C17H20BrN3O5/c1-21(9-14-25-5-6-26-14)8-13(22)20-15-11-7-10(18)3-4-12(11)19-16(15)17(23)24-2/h3-4,7,14,19H,5-6,8-9H2,1-2H3,(H,20,22)