tert-butyl 3-azanyl-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzoate

Systemtic Name: tert-butyl 3-azanyl-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzoate Openeye Name: tert-butyl 3-amino-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzoate CAS Name: 3-amino-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-amino-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzoate Traditional Name: 3-amino-4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]benzoic acid tert-butyl ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3C4=CC=CC=C4COC3=O)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3C4=CC=CC=C4COC3=O)N

InChI

InChI=1S/C24H29N3O4/c1-24(2,3)31-22(28)16-8-9-21(19(25)14-16)26-12-10-18(11-13-26)27-20-7-5-4-6-17(20)15-30-23(27)29/h4-9,14,18H,10-13,15,25H2,1-3H3