(5S,7R)-3-(phenylmethoxycarbonylamino)adamantane-1-carboxylic acid

Systemtic Name: (5S,7R)-3-(phenylmethoxycarbonylamino)adamantane-1-carboxylic acid Openeye Name: (5S,7R)-3-(benzyloxycarbonylamino)adamantane-1-carboxylic acid CAS Name: (5S,7R)-3-(phenylmethoxycarbonylamino)-1-adamantanecarboxylic acid IUPAC Name: (5S,7R)-3-(phenylmethoxycarbonylamino)adamantane-1-carboxylic acid Traditional Name: (5S,7R)-3-(benzyloxycarbonylamino)adamantane-1-carboxylic acid Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)NC(=O)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)NC(=O)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C19H23NO4/c21-16(22)18-7-14-6-15(8-18)10-19(9-14,12-18)20-17(23)24-11-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,20,23)(H,21,22)/t14-,15+,18?,19?