[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-azanyl-4-methyl-benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-azanyl-4-methyl-benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-amino-4-methyl-benzoate CAS Name: 3-amino-4-methylbenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-amino-4-methylbenzoate Traditional Name: 3-amino-4-methyl-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)N

InChI

InChI=1S/C20H26N2O3/c1-12-2-3-16(7-17(12)21)19(24)25-11-18(23)22-20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15H,4-6,8-11,21H2,1H3,(H,22,23)