(phenylmethyl) N-[(1S)-9-chloranyl-1-(3,4-dimethoxyphenyl)-3-oxidanylidene-non-4-ynyl]carbamate

Systemtic Name: (phenylmethyl) N-[(1S)-9-chloranyl-1-(3,4-dimethoxyphenyl)-3-oxidanylidene-non-4-ynyl]carbamate Openeye Name: benzyl N-[(1S)-9-chloro-1-(3,4-dimethoxyphenyl)-3-oxo-non-4-ynyl]carbamate CAS Name: N-[(1S)-9-chloro-1-(3,4-dimethoxyphenyl)-3-oxonon-4-ynyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(1S)-9-chloro-1-(3,4-dimethoxyphenyl)-3-oxonon-4-ynyl]carbamate Traditional Name: N-[(1S)-9-chloro-1-(3,4-dimethoxyphenyl)-3-keto-non-4-ynyl]carbamic acid benzyl ester Formula: C25H28ClNO5 MolecularWeight: 457.94652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)C#CCCCCCl)NC(=O)OCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CC(=O)C#CCCCCCl)NC(=O)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C25H28ClNO5/c1-30-23-14-13-20(16-24(23)31-2)22(17-21(28)12-8-3-4-9-15-26)27-25(29)32-18-19-10-6-5-7-11-19/h5-7,10-11,13-14,16,22H,3-4,9,15,17-18H2,1-2H3,(H,27,29)/t22-/m0/s1