methyl 2-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]-5-[4-[phenoxycarbonyl(phenoxycarbonyloxy)amino]but-1-ynyl]benzoate

Systemtic Name: methyl 2-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]-5-[4-[phenoxycarbonyl(phenoxycarbonyloxy)amino]but-1-ynyl]benzoate Openeye Name: methyl 2-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]-5-[4-[phenoxycarbonyl(phenoxycarbonyloxy)amino]but-1-ynyl]benzoate CAS Name: 2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]-5-[4-[[oxo(phenoxy)methoxy]-[oxo(phenoxy)methyl]amino]but-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]-5-[4-[phenoxycarbonyl(phenoxycarbonyloxy)amino]but-1-ynyl]benzoate Traditional Name: 5-[4-[carbophenoxy(carbophenoxyoxy)amino]but-1-ynyl]-2-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazino]ethoxy]benzoic acid methyl ester Formula: C45H42ClN3O8 MolecularWeight: 788.28328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C#CCCN(C(=O)OC2=CC=CC=C2)OC(=O)OC3=CC=CC=C3)OCCN4CCN(CC4)C(C5=CC=CC=C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C#CCCN(C(=O)OC2=CC=CC=C2)OC(=O)OC3=CC=CC=C3)OCCN4CCN(CC4)[C@H](C5=CC=CC=C5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C45H42ClN3O8/c1-53-43(50)40-33-34(13-11-12-26-49(44(51)55-38-16-7-3-8-17-38)57-45(52)56-39-18-9-4-10-19-39)20-25-41(40)54-32-31-47-27-29-48(30-28-47)42(35-14-5-2-6-15-35)36-21-23-37(46)24-22-36/h2-10,14-25,33,42H,12,26-32H2,1H3/t42-/m1/s1