2-aminocarbonyl-2-[cyano-(3-methoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-aminocarbonyl-2-[cyano-(3-methoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[(4-benzyloxy-3-methoxy-phenyl)-cyano-methyl]-2-carbamoyl-pyrrolidine-1-carboxylic acid CAS Name: 2-carbamoyl-2-[cyano-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-carbamoyl-2-[cyano-(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[(4-benzoxy-3-methoxy-phenyl)-cyano-methyl]-2-carbamoyl-pyrrolidine-1-carboxylic acid Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C#N)C2(CCCN2C(=O)O)C(=O)N)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(C#N)C2(CCCN2C(=O)O)C(=O)N)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O5/c1-29-19-12-16(8-9-18(19)30-14-15-6-3-2-4-7-15)17(13-23)22(20(24)26)10-5-11-25(22)21(27)28/h2-4,6-9,12,17H,5,10-11,14H2,1H3,(H2,24,26)(H,27,28)