tert-butyl 4-(naphthalen-2-ylcarbonylamino)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylate

Systemtic Name: tert-butyl 4-(naphthalen-2-ylcarbonylamino)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: tert-butyl 1-benzyl-4-(naphthalene-2-carbonylamino)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 4-[[2-naphthalenyl(oxo)methyl]amino]-5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-benzyl-4-(naphthalene-2-carbonylamino)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-benzyl-5-keto-4-(2-naphthoylamino)pyrrolidine-3-carboxylic acid tert-butyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(C(=O)C1NC(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1CN(C(=O)C1NC(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4/c1-27(2,3)33-26(32)22-17-29(16-18-9-5-4-6-10-18)25(31)23(22)28-24(30)21-14-13-19-11-7-8-12-20(19)15-21/h4-15,22-23H,16-17H2,1-3H3,(H,28,30)