4-[3-aminocarbonyl-4-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]phenyl]but-3-ynyl-azanyl-carbamic acid

Systemtic Name: 4-[3-aminocarbonyl-4-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]phenyl]but-3-ynyl-azanyl-carbamic acid Openeye Name: amino-[4-[3-carbamoyl-4-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]phenyl]but-3-ynyl]carbamic acid CAS Name: amino-[4-[3-carbamoyl-4-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]phenyl]but-3-ynyl]carbamic acid IUPAC Name: amino-[4-[3-carbamoyl-4-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]phenyl]but-3-ynyl]carbamic acid Traditional Name: amino-[4-[3-carbamoyl-4-[2-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazino]ethoxy]phenyl]but-3-ynyl]carbamic acid Formula: C31H34ClN5O4 MolecularWeight: 576.08576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=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(CCN1CCOC2=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/C31H34ClN5O4/c32-26-12-10-25(11-13-26)29(24-7-2-1-3-8-24)36-18-16-35(17-19-36)20-21-41-28-14-9-23(22-27(28)30(33)38)6-4-5-15-37(34)31(39)40/h1-3,7-14,22,29H,5,15-21,34H2,(H2,33,38)(H,39,40)/t29-/m1/s1