tert-butyl (2S)-2-[[3-[1-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)propyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[3-[1-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)propyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[3-[1-(2-hydroxy-4-oxo-chromen-3-yl)propyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[3-[1-(2-hydroxy-4-oxo-1-benzopyran-3-yl)propyl]anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[3-[1-(2-hydroxy-4-oxochromen-3-yl)propyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[3-[1-(2-hydroxy-4-keto-chromen-3-yl)propyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C28H32N2O6 MolecularWeight: 492.56348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)NC(=O)C2CCCN2C(=O)OC(C)(C)C)C3=C(OC4=CC=CC=C4C3=O)O

Isomeric SMILES

CCC(C1=CC(=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C3=C(OC4=CC=CC=C4C3=O)O

InChI

InChI=1S/C28H32N2O6/c1-5-19(23-24(31)20-12-6-7-14-22(20)35-26(23)33)17-10-8-11-18(16-17)29-25(32)21-13-9-15-30(21)27(34)36-28(2,3)4/h6-8,10-12,14,16,19,21,33H,5,9,13,15H2,1-4H3,(H,29,32)/t19?,21-/m0/s1