methyl 2-[[5-(1-adamantyl)-2-methoxy-phenyl]carbonylamino]propanoate

Systemtic Name: methyl 2-[[5-(1-adamantyl)-2-methoxy-phenyl]carbonylamino]propanoate Openeye Name: methyl 2-[[5-(1-adamantyl)-2-methoxy-benzoyl]amino]propanoate CAS Name: 2-[[[5-(1-adamantyl)-2-methoxyphenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[5-(1-adamantyl)-2-methoxybenzoyl]amino]propanoate Traditional Name: 2-[[5-(1-adamantyl)-2-methoxy-benzoyl]amino]propionic acid methyl ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4/c1-13(21(25)27-3)23-20(24)18-9-17(4-5-19(18)26-2)22-10-14-6-15(11-22)8-16(7-14)12-22/h4-5,9,13-16H,6-8,10-12H2,1-3H3,(H,23,24)