methyl 3-[2-[1,3-benzodioxol-5-yl(ethyl)amino]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[1,3-benzodioxol-5-yl(ethyl)amino]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[1,3-benzodioxol-5-yl(ethyl)amino]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[2-[1,3-benzodioxol-5-yl(ethyl)amino]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[1,3-benzodioxol-5-yl(ethyl)amino]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-[1,3-benzodioxol-5-yl(ethyl)amino]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=C(NC2=CC=CC=C21)C(=O)OC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC(=O)NC1=C(NC2=CC=CC=C21)C(=O)OC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O5/c1-3-24(13-8-9-16-17(10-13)29-12-28-16)11-18(25)23-19-14-6-4-5-7-15(14)22-20(19)21(26)27-2/h4-10,22H,3,11-12H2,1-2H3,(H,23,25)