methyl (2S)-2-(1-adamantylcarbonylamino)-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-(1-adamantylcarbonylamino)-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl (2S)-2-(adamantane-1-carbonylamino)-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(adamantane-1-carbonylamino)-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-26-19(24)18(9-13-2-4-17(23)5-3-13)22-20(25)21-10-14-6-15(11-21)8-16(7-14)12-21/h2-5,14-16,18,23H,6-12H2,1H3,(H,22,25)/t14?,15?,16?,18-,21?/m0/s1