(3R)-4-(1-adamantylmethylamino)-3-[(4-chlorophenyl)methyl]-4-oxidanylidene-butanoic acid

Systemtic Name: (3R)-4-(1-adamantylmethylamino)-3-[(4-chlorophenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: (3R)-4-(1-adamantylmethylamino)-3-[(4-chlorophenyl)methyl]-4-oxo-butanoic acid CAS Name: (3R)-4-(1-adamantylmethylamino)-3-[(4-chlorophenyl)methyl]-4-oxobutanoic acid IUPAC Name: (3R)-4-(1-adamantylmethylamino)-3-[(4-chlorophenyl)methyl]-4-oxobutanoic acid Traditional Name: (3R)-4-(1-adamantylmethylamino)-3-(4-chlorobenzyl)-4-keto-butyric acid Formula: C22H28ClNO3 MolecularWeight: 389.91562

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C(CC4=CC=C(C=C4)Cl)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClNO3/c23-19-3-1-14(2-4-19)8-18(9-20(25)26)21(27)24-13-22-10-15-5-16(11-22)7-17(6-15)12-22/h1-4,15-18H,5-13H2,(H,24,27)(H,25,26)/t15?,16?,17?,18-,22?/m1/s1