methyl 2-(propan-2-ylcarbamoylamino)-4-(pyrrolidin-1-ylcarbamoylamino)benzoate

Systemtic Name: methyl 2-(propan-2-ylcarbamoylamino)-4-(pyrrolidin-1-ylcarbamoylamino)benzoate Openeye Name: methyl 2-(isopropylcarbamoylamino)-4-(pyrrolidin-1-ylcarbamoylamino)benzoate CAS Name: 2-[[oxo-(propan-2-ylamino)methyl]amino]-4-[[oxo-(1-pyrrolidinylamino)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(propan-2-ylcarbamoylamino)-4-(pyrrolidin-1-ylcarbamoylamino)benzoate Traditional Name: 2-(isopropylcarbamoylamino)-4-(pyrrolidinocarbamoylamino)benzoic acid methyl ester Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=C(C=CC(=C1)NC(=O)NN2CCCC2)C(=O)OC

Isomeric SMILES

CC(C)NC(=O)NC1=C(C=CC(=C1)NC(=O)NN2CCCC2)C(=O)OC

InChI

InChI=1S/C17H25N5O4/c1-11(2)18-16(24)20-14-10-12(6-7-13(14)15(23)26-3)19-17(25)21-22-8-4-5-9-22/h6-7,10-11H,4-5,8-9H2,1-3H3,(H2,18,20,24)(H2,19,21,25)