2-cyclohexyl-2-[3-[[4-(2-oxidanylidene-4,5-dihydro-1,3-benzoxazepin-3-yl)piperidin-1-yl]methyl]-4-phenyl-pyrrolidin-1-yl]ethanoic acid

Systemtic Name: 2-cyclohexyl-2-[3-[[4-(2-oxidanylidene-4,5-dihydro-1,3-benzoxazepin-3-yl)piperidin-1-yl]methyl]-4-phenyl-pyrrolidin-1-yl]ethanoic acid Openeye Name: 2-cyclohexyl-2-[3-[[4-(2-oxo-4,5-dihydro-1,3-benzoxazepin-3-yl)-1-piperidyl]methyl]-4-phenyl-pyrrolidin-1-yl]acetic acid CAS Name: 2-cyclohexyl-2-[3-[[4-(2-oxo-4,5-dihydro-1,3-benzoxazepin-3-yl)-1-piperidinyl]methyl]-4-phenyl-1-pyrrolidinyl]acetic acid IUPAC Name: 2-cyclohexyl-2-[3-[[4-(2-oxo-4,5-dihydro-1,3-benzoxazepin-3-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid Traditional Name: 2-cyclohexyl-2-[3-[[4-(2-keto-4,5-dihydro-1,3-benzoxazepin-3-yl)piperidino]methyl]-4-phenyl-pyrrolidino]acetic acid Formula: C33H43N3O4 MolecularWeight: 545.71222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)O)N2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)N5CCC6=CC=CC=C6OC5=O

Isomeric SMILES

C1CCC(CC1)C(C(=O)O)N2CC(C(C2)C3=CC=CC=C3)CN4CCC(CC4)N5CCC6=CC=CC=C6OC5=O

InChI

InChI=1S/C33H43N3O4/c37-32(38)31(26-12-5-2-6-13-26)35-22-27(29(23-35)24-9-3-1-4-10-24)21-34-18-16-28(17-19-34)36-20-15-25-11-7-8-14-30(25)40-33(36)39/h1,3-4,7-11,14,26-29,31H,2,5-6,12-13,15-23H2,(H,37,38)