[4-[4-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]phenyl]but-3-ynyl-phenoxycarbonyl-amino] phenyl carbonate

Systemtic Name: [4-[4-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]phenyl]but-3-ynyl-phenoxycarbonyl-amino] phenyl carbonate Openeye Name: [4-[4-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]phenyl]but-3-ynyl-phenoxycarbonyl-amino] phenyl carbonate CAS Name: carbonic acid [4-[4-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]phenyl]but-3-ynyl-[oxo(phenoxy)methyl]amino] phenyl ester IUPAC Name: [4-[4-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]phenyl]but-3-ynyl-phenoxycarbonylamino] phenyl carbonate Traditional Name: carbonic acid [carbophenoxy-[4-[4-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazino]ethoxy]phenyl]but-3-ynyl]amino] phenyl ester Formula: C43H40ClN3O6 MolecularWeight: 730.2472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=C(C=C2)C#CCCN(C(=O)OC3=CC=CC=C3)OC(=O)OC4=CC=CC=C4)C(C5=CC=CC=C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1CN(CCN1CCOC2=CC=C(C=C2)C#CCCN(C(=O)OC3=CC=CC=C3)OC(=O)OC4=CC=CC=C4)[C@H](C5=CC=CC=C5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C43H40ClN3O6/c44-37-23-21-36(22-24-37)41(35-13-4-1-5-14-35)46-30-28-45(29-31-46)32-33-50-38-25-19-34(20-26-38)12-10-11-27-47(42(48)51-39-15-6-2-7-16-39)53-43(49)52-40-17-8-3-9-18-40/h1-9,13-26,41H,11,27-33H2/t41-/m1/s1