(3R)-4-(1-adamantylmethylamino)-3-[(3,5-dimethylphenyl)methyl]-4-oxidanylidene-butanoate

Systemtic Name: (3R)-4-(1-adamantylmethylamino)-3-[(3,5-dimethylphenyl)methyl]-4-oxidanylidene-butanoate Openeye Name: (3R)-4-(1-adamantylmethylamino)-3-[(3,5-dimethylphenyl)methyl]-4-oxo-butanoate CAS Name: (3R)-4-(1-adamantylmethylamino)-3-[(3,5-dimethylphenyl)methyl]-4-oxobutanoate IUPAC Name: (3R)-4-(1-adamantylmethylamino)-3-[(3,5-dimethylphenyl)methyl]-4-oxobutanoate Traditional Name: (3R)-4-(1-adamantylmethylamino)-3-(3,5-dimethylbenzyl)-4-keto-butyrate Formula: C24H32NO3- MolecularWeight: 382.51578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC(CC(=O)[O-])C(=O)NCC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C[C@H](CC(=O)[O-])C(=O)NCC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C24H33NO3/c1-15-3-16(2)5-17(4-15)9-21(10-22(26)27)23(28)25-14-24-11-18-6-19(12-24)8-20(7-18)13-24/h3-5,18-21H,6-14H2,1-2H3,(H,25,28)(H,26,27)/p-1/t18?,19?,20?,21-,24?/m1/s1