ethyl 4-[[3-(butan-2-ylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[3-(butan-2-ylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[4-pyrrolidin-1-yl-3-(sec-butylcarbamoyl)phenyl]carbamoylamino]benzoate CAS Name: 4-[[[3-[(butan-2-ylamino)-oxomethyl]-4-(1-pyrrolidinyl)anilino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(butan-2-ylcarbamoyl)-4-pyrrolidin-1-ylphenyl]carbamoylamino]benzoate Traditional Name: 4-[[4-pyrrolidino-3-(sec-butylcarbamoyl)phenyl]carbamoylamino]benzoic acid ethyl ester Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)C(=O)OCC)N3CCCC3

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)C(=O)OCC)N3CCCC3

InChI

InChI=1S/C25H32N4O4/c1-4-17(3)26-23(30)21-16-20(12-13-22(21)29-14-6-7-15-29)28-25(32)27-19-10-8-18(9-11-19)24(31)33-5-2/h8-13,16-17H,4-7,14-15H2,1-3H3,(H,26,30)(H2,27,28,32)