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

Systemtic Name: (phenylmethyl) (2S)-2-[[3-(quinazolin-4-ylamino)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[3-(quinazolin-4-ylamino)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[oxo-[3-(4-quinazolinylamino)anilino]methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[3-(quinazolin-4-ylamino)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[3-(quinazolin-4-ylamino)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)NC4=NC=NC5=CC=CC=C54

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)NC4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C27H25N5O3/c33-26(24-14-7-15-32(24)27(34)35-17-19-8-2-1-3-9-19)31-21-11-6-10-20(16-21)30-25-22-12-4-5-13-23(22)28-18-29-25/h1-6,8-13,16,18,24H,7,14-15,17H2,(H,31,33)(H,28,29,30)/t24-/m0/s1