[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-methylbenzoate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H28N2O3/c1-16-4-2-5-20(8-16)22(27)28-15-21(26)25(7-3-6-24)23-12-17-9-18(13-23)11-19(10-17)14-23/h2,4-5,8,17-19H,3,7,9-15H2,1H3