(3R)-N-[(Z)-1-(1-adamantyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[(Z)-1-(1-adamantyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[(Z)-1-(1-adamantyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[(Z)-1-(1-adamantyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[(Z)-1-(1-adamantyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[(Z)-1-(1-adamantyl)ethylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1COC2=CC=CC=C2O1)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C/C(=N/NC(=O)[C@H]1COC2=CC=CC=C2O1)/C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26N2O3/c1-13(21-9-14-6-15(10-21)8-16(7-14)11-21)22-23-20(24)19-12-25-17-4-2-3-5-18(17)26-19/h2-5,14-16,19H,6-12H2,1H3,(H,23,24)/b22-13-/t14?,15?,16?,19-,21?/m1/s1