methyl 4-[(5-oxidanyl-2-adamantyl)carbamoyl]-2,3-dihydro-1,4-benzoxazine-6-carboxylate

Systemtic Name: methyl 4-[(5-oxidanyl-2-adamantyl)carbamoyl]-2,3-dihydro-1,4-benzoxazine-6-carboxylate Openeye Name: methyl 4-[(5-hydroxy-2-adamantyl)carbamoyl]-2,3-dihydro-1,4-benzoxazine-6-carboxylate CAS Name: 4-[[(5-hydroxy-2-adamantyl)amino]-oxomethyl]-2,3-dihydro-1,4-benzoxazine-6-carboxylic acid methyl ester IUPAC Name: methyl 4-[(5-hydroxy-2-adamantyl)carbamoyl]-2,3-dihydro-1,4-benzoxazine-6-carboxylate Traditional Name: 4-[(5-hydroxy-2-adamantyl)carbamoyl]-2,3-dihydro-1,4-benzoxazine-6-carboxylic acid methyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCCN2C(=O)NC3C4CC5CC3CC(C5)(C4)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCCN2C(=O)NC3C4CC5CC3CC(C5)(C4)O

InChI

InChI=1S/C21H26N2O5/c1-27-19(24)13-2-3-17-16(8-13)23(4-5-28-17)20(25)22-18-14-6-12-7-15(18)11-21(26,9-12)10-14/h2-3,8,12,14-15,18,26H,4-7,9-11H2,1H3,(H,22,25)