(phenylmethyl) 3-methyl-2-[2-[(9-phenylfluoren-9-yl)amino]pent-4-enoylamino]butanoate

Systemtic Name: (phenylmethyl) 3-methyl-2-[2-[(9-phenylfluoren-9-yl)amino]pent-4-enoylamino]butanoate Openeye Name: benzyl 3-methyl-2-[2-[(9-phenylfluoren-9-yl)amino]pent-4-enoylamino]butanoate CAS Name: 3-methyl-2-[[1-oxo-2-[(9-phenyl-9-fluorenyl)amino]pent-4-enyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-2-[2-[(9-phenylfluoren-9-yl)amino]pent-4-enoylamino]butanoate Traditional Name: 3-methyl-2-[2-[(9-phenylfluoren-9-yl)amino]pent-4-enoylamino]butyric acid benzyl ester Formula: C36H36N2O3 MolecularWeight: 544.68264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC=C)NC2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC=C)NC2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5

InChI

InChI=1S/C36H36N2O3/c1-4-15-32(34(39)37-33(25(2)3)35(40)41-24-26-16-7-5-8-17-26)38-36(27-18-9-6-10-19-27)30-22-13-11-20-28(30)29-21-12-14-23-31(29)36/h4-14,16-23,25,32-33,38H,1,15,24H2,2-3H3,(H,37,39)