tert-butyl (2S,5Z)-5-(1-methoxy-1-oxidanylidene-hex-5-yn-2-ylidene)-1-(phenylmethyl)pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S,5Z)-5-(1-methoxy-1-oxidanylidene-hex-5-yn-2-ylidene)-1-(phenylmethyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S,5Z)-1-benzyl-5-(1-methoxycarbonylpent-4-ynylidene)pyrrolidine-2-carboxylate CAS Name: (2S,5Z)-5-(1-methoxy-1-oxohex-5-yn-2-ylidene)-1-(phenylmethyl)-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,5Z)-1-benzyl-5-(1-methoxy-1-oxohex-5-yn-2-ylidene)pyrrolidine-2-carboxylate Traditional Name: (2S,5Z)-1-benzyl-5-(1-carbomethoxypent-4-ynylidene)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C23H29NO4 MolecularWeight: 383.48066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC(=C(CCC#C)C(=O)OC)N1CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CC/C(=C(\CCC#C)/C(=O)OC)/N1CC2=CC=CC=C2

InChI

InChI=1S/C23H29NO4/c1-6-7-13-18(21(25)27-5)19-14-15-20(22(26)28-23(2,3)4)24(19)16-17-11-9-8-10-12-17/h1,8-12,20H,7,13-16H2,2-5H3/b19-18-/t20-/m0/s1