methyl (2S)-2-(1-adamantyl)-2-[(4-methylphenyl)carbonylamino]ethanoate

Systemtic Name: methyl (2S)-2-(1-adamantyl)-2-[(4-methylphenyl)carbonylamino]ethanoate Openeye Name: methyl (2S)-2-(1-adamantyl)-2-[(4-methylbenzoyl)amino]acetate CAS Name: (2S)-2-(1-adamantyl)-2-[[(4-methylphenyl)-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl (2S)-2-(1-adamantyl)-2-[(4-methylbenzoyl)amino]acetate Traditional Name: (2S)-2-(1-adamantyl)-2-(p-toluoylamino)acetic acid methyl ester Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3/c1-13-3-5-17(6-4-13)19(23)22-18(20(24)25-2)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16,18H,7-12H2,1-2H3,(H,22,23)/t14?,15?,16?,18-,21?/m1/s1