(phenylmethyl) (2S)-2-[[3-(4-dimethylaminophenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[3-(4-dimethylaminophenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[3-(4-dimethylaminophenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[3-(4-dimethylaminophenyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[3-(4-dimethylaminophenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[3-(4-dimethylaminophenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3/c1-29(2)24-15-13-21(14-16-24)22-10-6-11-23(18-22)28-26(31)25-12-7-17-30(25)27(32)33-19-20-8-4-3-5-9-20/h3-6,8-11,13-16,18,25H,7,12,17,19H2,1-2H3,(H,28,31)/t25-/m0/s1