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

Systemtic Name: ethyl 4-[[3-(2-diethylaminoethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[3-(2-diethylaminoethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]carbamoylamino]benzoate CAS Name: 4-[[[3-[(2-diethylaminoethylamino)-oxomethyl]-4-(1-pyrrolidinyl)anilino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-diethylaminoethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]carbamoylamino]benzoate Traditional Name: 4-[[3-(2-diethylaminoethylcarbamoyl)-4-pyrrolidino-phenyl]carbamoylamino]benzoic acid ethyl ester Formula: C27H37N5O4 MolecularWeight: 495.61378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N5O4/c1-4-31(5-2)18-15-28-25(33)23-19-22(13-14-24(23)32-16-7-8-17-32)30-27(35)29-21-11-9-20(10-12-21)26(34)36-6-3/h9-14,19H,4-8,15-18H2,1-3H3,(H,28,33)(H2,29,30,35)