methyl 4-chloranyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]benzoate Openeye Name: methyl 4-chloro-2-[(1-propanoylindolin-5-yl)methylcarbamoylamino]benzoate CAS Name: 4-chloro-2-[[oxo-[[1-(1-oxopropyl)-2,3-dihydroindol-5-yl]methylamino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]benzoate Traditional Name: 4-chloro-2-[(1-propionylindolin-5-yl)methylcarbamoylamino]benzoic acid methyl ester Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C1C=CC(=C2)CNC(=O)NC3=C(C=CC(=C3)Cl)C(=O)OC

Isomeric SMILES

CCC(=O)N1CCC2=C1C=CC(=C2)CNC(=O)NC3=C(C=CC(=C3)Cl)C(=O)OC

InChI

InChI=1S/C21H22ClN3O4/c1-3-19(26)25-9-8-14-10-13(4-7-18(14)25)12-23-21(28)24-17-11-15(22)5-6-16(17)20(27)29-2/h4-7,10-11H,3,8-9,12H2,1-2H3,(H2,23,24,28)