tert-butyl 2-[2-[4-[[4-[4-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]phenyl]-phenyl-methyl]piperazin-1-yl]ethoxy]ethanoate

Systemtic Name: tert-butyl 2-[2-[4-[[4-[4-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]phenyl]-phenyl-methyl]piperazin-1-yl]ethoxy]ethanoate Openeye Name: tert-butyl 2-[2-[4-[[4-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]phenyl]-phenyl-methyl]piperazin-1-yl]ethoxy]acetate CAS Name: 2-[2-[4-[[4-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]phenyl]-phenylmethyl]-1-piperazinyl]ethoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[4-[[4-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]phenyl]-phenylmethyl]piperazin-1-yl]ethoxy]acetate Traditional Name: 2-[2-[4-[[4-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]phenyl]-phenyl-methyl]piperazino]ethoxy]acetic acid tert-butyl ester Formula: C30H40N4O5 MolecularWeight: 536.6624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)C#CCCN(C(=O)N)O

Isomeric SMILES

CC(C)(C)OC(=O)COCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)C#CCCN(C(=O)N)O

InChI

InChI=1S/C30H40N4O5/c1-30(2,3)39-27(35)23-38-22-21-32-17-19-33(20-18-32)28(25-10-5-4-6-11-25)26-14-12-24(13-15-26)9-7-8-16-34(37)29(31)36/h4-6,10-15,28,37H,8,16-23H2,1-3H3,(H2,31,36)