(4-methylphenyl)methyl (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: (4-methylphenyl)methyl (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: p-tolylmethyl (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid (4-methylbenzyl) ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C(C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)[C@H](C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO3/c1-14-3-5-16(6-4-14)13-26-20(24)15(2)23-21(25)22-10-17-7-18(11-22)9-19(8-17)12-22/h3-6,15,17-19H,7-13H2,1-2H3,(H,23,25)/t15-,17?,18?,19?,22?/m0/s1