methyl 2-(1-adamantyl)-2-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]ethanoate

Systemtic Name: methyl 2-(1-adamantyl)-2-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]ethanoate Openeye Name: methyl 2-(1-adamantyl)-2-[(5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]acetate CAS Name: 2-(1-adamantyl)-2-[(5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-(1-adamantyl)-2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]acetate Traditional Name: 2-(1-adamantyl)-2-[(3-keto-5,5-dimethyl-cyclohexen-1-yl)amino]acetic acid methyl ester Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)NC(C(=O)OC)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)NC(C(=O)OC)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H31NO3/c1-20(2)11-16(7-17(23)12-20)22-18(19(24)25-3)21-8-13-4-14(9-21)6-15(5-13)10-21/h7,13-15,18,22H,4-6,8-12H2,1-3H3