(phenylmethyl) (2S)-2-[[cyano-(3-methoxy-4-phenylmethoxy-phenyl)methyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[cyano-(3-methoxy-4-phenylmethoxy-phenyl)methyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[(4-benzyloxy-3-methoxy-phenyl)-cyano-methyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[cyano-(3-methoxy-4-phenylmethoxyphenyl)methyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[cyano-(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(4-benzoxy-3-methoxy-phenyl)-cyano-methyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C#N)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C#N)NC(=O)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O5/c1-35-27-17-23(14-15-26(27)36-19-21-9-4-2-5-10-21)24(18-30)31-28(33)25-13-8-16-32(25)29(34)37-20-22-11-6-3-7-12-22/h2-7,9-12,14-15,17,24-25H,8,13,16,19-20H2,1H3,(H,31,33)/t24?,25-/m0/s1