4-[3-aminocarbonyl-4-[3-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]propoxy]phenyl]but-3-ynyl-azanyl-carbamic acid

Systemtic Name: 4-[3-aminocarbonyl-4-[3-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]propoxy]phenyl]but-3-ynyl-azanyl-carbamic acid Openeye Name: amino-[4-[3-carbamoyl-4-[3-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]propoxy]phenyl]but-3-ynyl]carbamic acid CAS Name: amino-[4-[3-carbamoyl-4-[3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]propoxy]phenyl]but-3-ynyl]carbamic acid IUPAC Name: amino-[4-[3-carbamoyl-4-[3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propoxy]phenyl]but-3-ynyl]carbamic acid Traditional Name: amino-[4-[3-carbamoyl-4-[3-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazino]propoxy]phenyl]but-3-ynyl]carbamic acid Formula: C32H36ClN5O4 MolecularWeight: 590.11234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=C(C=C(C=C2)C#CCCN(C(=O)O)N)C(=O)N)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1CCCOC2=C(C=C(C=C2)C#CCCN(C(=O)O)N)C(=O)N)[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C32H36ClN5O4/c33-27-13-11-26(12-14-27)30(25-8-2-1-3-9-25)37-20-18-36(19-21-37)16-6-22-42-29-15-10-24(23-28(29)31(34)39)7-4-5-17-38(35)32(40)41/h1-3,8-15,23,30H,5-6,16-22,35H2,(H2,34,39)(H,40,41)/t30-/m1/s1