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

Systemtic Name: ethyl 4-[[3-(phenethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[3-(phenethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]carbamoylamino]benzoate CAS Name: 4-[[oxo-[3-[oxo-(phenethylamino)methyl]-4-(1-pyrrolidinyl)anilino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(phenethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]carbamoylamino]benzoate Traditional Name: 4-[[3-(phenethylcarbamoyl)-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)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCCC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C29H32N4O4/c1-2-37-28(35)22-10-12-23(13-11-22)31-29(36)32-24-14-15-26(33-18-6-7-19-33)25(20-24)27(34)30-17-16-21-8-4-3-5-9-21/h3-5,8-15,20H,2,6-7,16-19H2,1H3,(H,30,34)(H2,31,32,36)