[(2R)-3-(4-azanyl-3-chloranyl-5-methyl-phenyl)-1-oxidanylidene-1-(4-pyrrolidin-1-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-pyrrolidin-1-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-pyrrolidin-1-yl-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-(1-pyrrolidinyl)-1-piperidinyl]propan-2-yl] ester IUPAC Name: [(2R)-3-(4-amino-3-chloro-5-methylphenyl)-1-oxo-1-(4-pyrrolidin-1-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-pyrrolidinopiperidino)ethyl] ester Formula: C32H40ClN5O5 MolecularWeight: 610.1435

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC(C(=O)N2CCC(CC2)N3CCCC3)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)N3CCCC3)OC(=O)N4CCC5(CC4)C6=CC=CC=C6NC(=O)O5)Cl)N

InChI

InChI=1S/C32H40ClN5O5/c1-21-18-22(19-25(33)28(21)34)20-27(29(39)37-14-8-23(9-15-37)36-12-4-5-13-36)42-31(41)38-16-10-32(11-17-38)24-6-2-3-7-26(24)35-30(40)43-32/h2-3,6-7,18-19,23,27H,4-5,8-17,20,34H2,1H3,(H,35,40)/t27-/m1/s1