methyl 3-[[3-[3-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]phenyl]methylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[3-[3-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]phenyl]methylcarbamoyl]benzoate Openeye Name: methyl 3-[[3-[3-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]phenyl]methylcarbamoyl]benzoate CAS Name: 3-[[[3-[3-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]phenyl]methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-[3-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]phenyl]methylcarbamoyl]benzoate Traditional Name: 3-[[3-[3-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]benzyl]carbamoyl]benzoic acid methyl ester Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NCC2=CC=CC(=C2)C3=CC(=CC=C3)CN4CC5CC4CN5

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NCC2=CC=CC(=C2)C3=CC(=CC=C3)CN4C[C@@H]5C[C@H]4CN5

InChI

InChI=1S/C28H29N3O3/c1-34-28(33)24-10-4-9-23(13-24)27(32)30-15-19-5-2-7-21(11-19)22-8-3-6-20(12-22)17-31-18-25-14-26(31)16-29-25/h2-13,25-26,29H,14-18H2,1H3,(H,30,32)/t25-,26-/m0/s1