methyl 3-[[4-[[5-[4-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]furan-2-yl]methyl]piperazin-1-yl]-phenyl-methyl]benzoate

Systemtic Name: methyl 3-[[4-[[5-[4-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]furan-2-yl]methyl]piperazin-1-yl]-phenyl-methyl]benzoate Openeye Name: methyl 3-[[4-[[5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]-2-furyl]methyl]piperazin-1-yl]-phenyl-methyl]benzoate CAS Name: 3-[[4-[[5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]-2-furanyl]methyl]-1-piperazinyl]-phenylmethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[[5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]furan-2-yl]methyl]piperazin-1-yl]-phenylmethyl]benzoate Traditional Name: 3-[[4-[[5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]-2-furyl]methyl]piperazino]-phenyl-methyl]benzoic acid methyl ester Formula: C29H32N4O5 MolecularWeight: 516.58818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)C(C2=CC=CC=C2)N3CCN(CC3)CC4=CC=C(O4)C#CCCN(C(=O)N)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)C(C2=CC=CC=C2)N3CCN(CC3)CC4=CC=C(O4)C#CCCN(C(=O)N)O

InChI

InChI=1S/C29H32N4O5/c1-37-28(34)24-11-7-10-23(20-24)27(22-8-3-2-4-9-22)32-18-16-31(17-19-32)21-26-14-13-25(38-26)12-5-6-15-33(36)29(30)35/h2-4,7-11,13-14,20,27,36H,6,15-19,21H2,1H3,(H2,30,35)