(phenylmethyl) 4-(3-cyanophenoxy)-3-[(4-pyrrolidin-1-ylcarbonylphenyl)carbonylamino]butanoate

Systemtic Name: (phenylmethyl) 4-(3-cyanophenoxy)-3-[(4-pyrrolidin-1-ylcarbonylphenyl)carbonylamino]butanoate Openeye Name: benzyl 4-(3-cyanophenoxy)-3-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]butanoate CAS Name: 4-(3-cyanophenoxy)-3-[[oxo-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-cyanophenoxy)-3-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]butanoate Traditional Name: 4-(3-cyanophenoxy)-3-[[4-(pyrrolidine-1-carbonyl)benzoyl]amino]butyric acid benzyl ester Formula: C30H29N3O5 MolecularWeight: 511.56836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)C(=O)NC(CC(=O)OCC3=CC=CC=C3)COC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)C(=O)NC(CC(=O)OCC3=CC=CC=C3)COC4=CC=CC(=C4)C#N

InChI

InChI=1S/C30H29N3O5/c31-19-23-9-6-10-27(17-23)37-21-26(18-28(34)38-20-22-7-2-1-3-8-22)32-29(35)24-11-13-25(14-12-24)30(36)33-15-4-5-16-33/h1-3,6-14,17,26H,4-5,15-16,18,20-21H2,(H,32,35)