[(2R)-3-(4-azanyl-3-chloranyl-5-methyl-phenyl)-1-oxidanylidene-1-(4-piperidin-4-ylpiperidin-1-yl)propan-2-yl] 2-oxidanylidenespiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate

Systemtic Name: [(2R)-3-(4-azanyl-3-chloranyl-5-methyl-phenyl)-1-oxidanylidene-1-(4-piperidin-4-ylpiperidin-1-yl)propan-2-yl] 2-oxidanylidenespiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate Openeye Name: [(1R)-1-[(4-amino-3-chloro-5-methyl-phenyl)methyl]-2-oxo-2-[4-(4-piperidyl)-1-piperidyl]ethyl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate CAS Name: 2-oxo-1'-spiro[1H-3,1-benzoxazine-4,4'-piperidine]carboxylic acid [(2R)-3-(4-amino-3-chloro-5-methylphenyl)-1-oxo-1-[4-(4-piperidinyl)-1-piperidinyl]propan-2-yl] ester IUPAC Name: [(2R)-3-(4-amino-3-chloro-5-methylphenyl)-1-oxo-1-(4-piperidin-4-ylpiperidin-1-yl)propan-2-yl] 2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylate Traditional Name: 2-ketospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxylic acid [(1R)-1-(4-amino-3-chloro-5-methyl-benzyl)-2-keto-2-[4-(4-piperidyl)piperidino]ethyl] ester Formula: C33H42ClN5O5 MolecularWeight: 624.17008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC(C(=O)N2CCC(CC2)C3CCNCC3)OC(=O)N4CCC5(CC4)C6=CC=CC=C6NC(=O)O5)Cl)N

Isomeric SMILES

CC1=C(C(=CC(=C1)C[C@H](C(=O)N2CCC(CC2)C3CCNCC3)OC(=O)N4CCC5(CC4)C6=CC=CC=C6NC(=O)O5)Cl)N

InChI

InChI=1S/C33H42ClN5O5/c1-21-18-22(19-26(34)29(21)35)20-28(30(40)38-14-8-24(9-15-38)23-6-12-36-13-7-23)43-32(42)39-16-10-33(11-17-39)25-4-2-3-5-27(25)37-31(41)44-33/h2-5,18-19,23-24,28,36H,6-17,20,35H2,1H3,(H,37,41)/t28-/m1/s1