(2S)-2-(1-adamantyl)-2-(2-phenoxyethanoylamino)ethanoic acid

Systemtic Name: (2S)-2-(1-adamantyl)-2-(2-phenoxyethanoylamino)ethanoic acid Openeye Name: (2S)-2-(1-adamantyl)-2-[(2-phenoxyacetyl)amino]acetic acid CAS Name: (2S)-2-(1-adamantyl)-2-[(1-oxo-2-phenoxyethyl)amino]acetic acid IUPAC Name: (2S)-2-(1-adamantyl)-2-[(2-phenoxyacetyl)amino]acetic acid Traditional Name: (2S)-2-(1-adamantyl)-2-[(2-phenoxyacetyl)amino]acetic acid Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(C(=O)O)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[C@@H](C(=O)O)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C20H25NO4/c22-17(12-25-16-4-2-1-3-5-16)21-18(19(23)24)20-9-13-6-14(10-20)8-15(7-13)11-20/h1-5,13-15,18H,6-12H2,(H,21,22)(H,23,24)/t13?,14?,15?,18-,20?/m1/s1