[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H25NO3/c1-12-3-2-4-16(18(12)21)19(23)24-11-17(22)20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,13-15H,5-11,21H2,1H3