(3S)-N-[2-(1-adamantyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[2-(1-adamantyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[2-(1-adamantyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[2-(1-adamantyl)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[2-(1-adamantyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[2-(1-adamantyl)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCNC(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)NCCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27NO3/c23-20(19-13-24-17-3-1-2-4-18(17)25-19)22-6-5-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,14-16,19H,5-13H2,(H,22,23)/t14?,15?,16?,19-,21?/m0/s1