(phenylmethyl) 3-phenyl-2-[2-[(9-phenylfluoren-9-yl)amino]pent-4-enoylamino]propanoate

Systemtic Name: (phenylmethyl) 3-phenyl-2-[2-[(9-phenylfluoren-9-yl)amino]pent-4-enoylamino]propanoate Openeye Name: benzyl 3-phenyl-2-[2-[(9-phenylfluoren-9-yl)amino]pent-4-enoylamino]propanoate CAS Name: 2-[[1-oxo-2-[(9-phenyl-9-fluorenyl)amino]pent-4-enyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-phenyl-2-[2-[(9-phenylfluoren-9-yl)amino]pent-4-enoylamino]propanoate Traditional Name: 3-phenyl-2-[2-[(9-phenylfluoren-9-yl)amino]pent-4-enoylamino]propionic acid benzyl ester Formula: C40H36N2O3 MolecularWeight: 592.72544

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC3(C4=CC=CC=C4C5=CC=CC=C53)C6=CC=CC=C6

Isomeric SMILES

C=CCC(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC3(C4=CC=CC=C4C5=CC=CC=C53)C6=CC=CC=C6

InChI

InChI=1S/C40H36N2O3/c1-2-16-36(38(43)41-37(27-29-17-6-3-7-18-29)39(44)45-28-30-19-8-4-9-20-30)42-40(31-21-10-5-11-22-31)34-25-14-12-23-32(34)33-24-13-15-26-35(33)40/h2-15,17-26,36-37,42H,1,16,27-28H2,(H,41,43)