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

Systemtic Name: [4-[4-[3-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]propoxy]phenyl]but-3-ynyl-phenoxycarbonyl-amino] phenyl carbonate Openeye Name: [4-[4-[3-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]propoxy]phenyl]but-3-ynyl-phenoxycarbonyl-amino] phenyl carbonate CAS Name: carbonic acid [4-[4-[3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]propoxy]phenyl]but-3-ynyl-[oxo(phenoxy)methyl]amino] phenyl ester IUPAC Name: [4-[4-[3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propoxy]phenyl]but-3-ynyl-phenoxycarbonylamino] phenyl carbonate Traditional Name: carbonic acid [carbophenoxy-[4-[4-[3-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazino]propoxy]phenyl]but-3-ynyl]amino] phenyl ester Formula: C44H42ClN3O6 MolecularWeight: 744.27378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=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(CCN1CCCOC2=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/C44H42ClN3O6/c45-38-24-22-37(23-25-38)42(36-14-4-1-5-15-36)47-32-30-46(31-33-47)28-12-34-51-39-26-20-35(21-27-39)13-10-11-29-48(43(49)52-40-16-6-2-7-17-40)54-44(50)53-41-18-8-3-9-19-41/h1-9,14-27,42H,11-12,28-34H2/t42-/m1/s1