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

Systemtic Name: ethyl 4-[[3-(1-phenylethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[3-(1-phenylethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]carbamoylamino]benzoate CAS Name: 4-[[oxo-[3-[oxo-(1-phenylethylamino)methyl]-4-(1-pyrrolidinyl)anilino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(1-phenylethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]carbamoylamino]benzoate Traditional Name: 4-[[3-(1-phenylethylcarbamoyl)-4-pyrrolidino-phenyl]carbamoylamino]benzoic acid ethyl ester Formula: C29H32N4O4 MolecularWeight: 500.58878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)NC(C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C29H32N4O4/c1-3-37-28(35)22-11-13-23(14-12-22)31-29(36)32-24-15-16-26(33-17-7-8-18-33)25(19-24)27(34)30-20(2)21-9-5-4-6-10-21/h4-6,9-16,19-20H,3,7-8,17-18H2,1-2H3,(H,30,34)(H2,31,32,36)