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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(CC(=N[C@H](C(=O)OC)C23CC4CC(C2)CC(C4)C3)CC(=O)C1)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/h13-15,18H,4-12H2,1-3H3/t13?,14?,15?,18-,21?/m1/s1