dimethyl 2-[4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[4-(5-chloranyl-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[4-[5-chloro-2-(2-pyridinyl)-1H-indol-3-yl]-1-oxobutyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)butanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[4-[5-chloro-2-(2-pyridyl)-1H-indol-3-yl]butanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C27H24ClN3O5 MolecularWeight: 505.94956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCCC2=C(NC3=C2C=C(C=C3)Cl)C4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCCC2=C(NC3=C2C=C(C=C3)Cl)C4=CC=CC=N4

InChI

InChI=1S/C27H24ClN3O5/c1-35-26(33)16-9-11-19(27(34)36-2)23(14-16)30-24(32)8-5-6-18-20-15-17(28)10-12-21(20)31-25(18)22-7-3-4-13-29-22/h3-4,7,9-15,31H,5-6,8H2,1-2H3,(H,30,32)