tert-butyl (2S,5Z)-5-(6-methyl-2-oxidanylidene-oxan-3-ylidene)-1-(phenylmethyl)pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S,5Z)-5-(6-methyl-2-oxidanylidene-oxan-3-ylidene)-1-(phenylmethyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S,5Z)-1-benzyl-5-(6-methyl-2-oxo-tetrahydropyran-3-ylidene)pyrrolidine-2-carboxylate CAS Name: (2S,5Z)-5-(6-methyl-2-oxo-3-oxanylidene)-1-(phenylmethyl)-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,5Z)-1-benzyl-5-(6-methyl-2-oxooxan-3-ylidene)pyrrolidine-2-carboxylate Traditional Name: (2S,5Z)-1-benzyl-5-(2-keto-6-methyl-tetrahydropyran-3-ylidene)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=C2CCC(N2CC3=CC=CC=C3)C(=O)OC(C)(C)C)C(=O)O1

Isomeric SMILES

CC1CC/C(=C/2\CC[C@H](N2CC3=CC=CC=C3)C(=O)OC(C)(C)C)/C(=O)O1

InChI

InChI=1S/C22H29NO4/c1-15-10-11-17(20(24)26-15)18-12-13-19(21(25)27-22(2,3)4)23(18)14-16-8-6-5-7-9-16/h5-9,15,19H,10-14H2,1-4H3/b18-17-/t15?,19-/m0/s1