(3R)-4-(1-adamantylmethylamino)-3-[(4-methylphenyl)methyl]-4-oxidanylidene-butanoate

Systemtic Name: (3R)-4-(1-adamantylmethylamino)-3-[(4-methylphenyl)methyl]-4-oxidanylidene-butanoate Openeye Name: (3R)-4-(1-adamantylmethylamino)-4-oxo-3-(p-tolylmethyl)butanoate CAS Name: (3R)-4-(1-adamantylmethylamino)-3-[(4-methylphenyl)methyl]-4-oxobutanoate IUPAC Name: (3R)-4-(1-adamantylmethylamino)-3-[(4-methylphenyl)methyl]-4-oxobutanoate Traditional Name: (3R)-4-(1-adamantylmethylamino)-4-keto-3-(4-methylbenzyl)butyrate Formula: C23H30NO3- MolecularWeight: 368.4892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO3/c1-15-2-4-16(5-3-15)9-20(10-21(25)26)22(27)24-14-23-11-17-6-18(12-23)8-19(7-17)13-23/h2-5,17-20H,6-14H2,1H3,(H,24,27)(H,25,26)/p-1/t17?,18?,19?,20-,23?/m1/s1