[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid [2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propionic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C29H27ClN4O6 MolecularWeight: 563.00088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)Cl)C(=O)C5=CC=CO5

InChI

InChI=1S/C29H27ClN4O6/c30-21-9-7-19(8-10-21)27(36)32-24(16-20-17-31-23-5-2-1-4-22(20)23)29(38)40-18-26(35)33-11-13-34(14-12-33)28(37)25-6-3-15-39-25/h1-10,15,17,24,31H,11-14,16,18H2,(H,32,36)