N-[(1S)-1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]-4-fluoranyl-benzamide Openeye Name: N-[(1S)-1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxo-ethyl]-4-fluoro-benzamide CAS Name: N-[(1S)-1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-fluorobenzamide IUPAC Name: N-[(1S)-1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-fluorobenzamide Traditional Name: N-[(1S)-1-(1-adamantyl)-2-keto-2-(2-methoxyethylamino)ethyl]-4-fluoro-benzamide Formula: C22H29FN2O3 MolecularWeight: 388.475663

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COCCNC(=O)[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H29FN2O3/c1-28-7-6-24-21(27)19(25-20(26)17-2-4-18(23)5-3-17)22-11-14-8-15(12-22)10-16(9-14)13-22/h2-5,14-16,19H,6-13H2,1H3,(H,24,27)(H,25,26)/t14?,15?,16?,19-,22?/m1/s1