[3-(3-phenoxyphenyl)prop-2-ynyl-phenylmethoxycarbonyl-amino] (phenylmethyl) carbonate

Systemtic Name: [3-(3-phenoxyphenyl)prop-2-ynyl-phenylmethoxycarbonyl-amino] (phenylmethyl) carbonate Openeye Name: benzyl [benzyloxycarbonyl-[3-(3-phenoxyphenyl)prop-2-ynyl]amino] carbonate CAS Name: carbonic acid [3-(3-phenoxyphenyl)prop-2-ynyl-phenylmethoxycarbonylamino] (phenylmethyl) ester IUPAC Name: benzyl [3-(3-phenoxyphenyl)prop-2-ynyl-phenylmethoxycarbonylamino] carbonate Traditional Name: carbonic acid benzyl [carbobenzoxy-[3-(3-phenoxyphenyl)prop-2-ynyl]amino] ester Formula: C31H25NO6 MolecularWeight: 507.5333

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(CC#CC2=CC(=CC=C2)OC3=CC=CC=C3)OC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(CC#CC2=CC(=CC=C2)OC3=CC=CC=C3)OC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H25NO6/c33-30(35-23-26-12-4-1-5-13-26)32(38-31(34)36-24-27-14-6-2-7-15-27)21-11-17-25-16-10-20-29(22-25)37-28-18-8-3-9-19-28/h1-10,12-16,18-20,22H,21,23-24H2