tert-butyl 4-methyl-2-[[1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]oxymethyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-methyl-2-[[1-oxidanylidene-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]oxymethyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-methyl-2-[[3-phenyl-1-(3-quinolylcarbamoyl)propoxy]methyl]pyrrolidine-1-carboxylate CAS Name: 4-methyl-2-[[1-oxo-4-phenyl-1-(3-quinolinylamino)butan-2-yl]oxymethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-methyl-2-[[1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]oxymethyl]pyrrolidine-1-carboxylate Traditional Name: 4-methyl-2-[[3-phenyl-1-(3-quinolylcarbamoyl)propoxy]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C30H37N3O4 MolecularWeight: 503.63248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(C1)C(=O)OC(C)(C)C)COC(CCC2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CC1CC(N(C1)C(=O)OC(C)(C)C)COC(CCC2=CC=CC=C2)C(=O)NC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C30H37N3O4/c1-21-16-25(33(19-21)29(35)37-30(2,3)4)20-36-27(15-14-22-10-6-5-7-11-22)28(34)32-24-17-23-12-8-9-13-26(23)31-18-24/h5-13,17-18,21,25,27H,14-16,19-20H2,1-4H3,(H,32,34)