(3R)-4-(1-adamantylmethylamino)-4-oxidanylidene-3-(phenylmethyl)butanoate

Systemtic Name: (3R)-4-(1-adamantylmethylamino)-4-oxidanylidene-3-(phenylmethyl)butanoate Openeye Name: (3R)-4-(1-adamantylmethylamino)-3-benzyl-4-oxo-butanoate CAS Name: (3R)-4-(1-adamantylmethylamino)-4-oxo-3-(phenylmethyl)butanoate IUPAC Name: (3R)-4-(1-adamantylmethylamino)-3-benzyl-4-oxobutanoate Traditional Name: (3R)-4-(1-adamantylmethylamino)-3-benzyl-4-keto-butyrate Formula: C22H28NO3- MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C(CC4=CC=CC=C4)CC(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)[C@H](CC4=CC=CC=C4)CC(=O)[O-]

InChI

InChI=1S/C22H29NO3/c24-20(25)10-19(9-15-4-2-1-3-5-15)21(26)23-14-22-11-16-6-17(12-22)8-18(7-16)13-22/h1-5,16-19H,6-14H2,(H,23,26)(H,24,25)/p-1/t16?,17?,18?,19-,22?/m1/s1