N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]-4-[(2,6-dimethylphenoxy)methyl]benzamide

Systemtic Name: N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]-4-[(2,6-dimethylphenoxy)methyl]benzamide Openeye Name: N-[(E)-[2-(1-adamantyl)-1-methyl-ethylidene]amino]-4-[(2,6-dimethylphenoxy)methyl]benzamide CAS Name: N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]-4-[(2,6-dimethylphenoxy)methyl]benzamide IUPAC Name: N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]-4-[(2,6-dimethylphenoxy)methyl]benzamide Traditional Name: N-[(E)-[2-(1-adamantyl)-1-methyl-ethylidene]amino]-4-[(2,6-dimethylphenoxy)methyl]benzamide Formula: C29H36N2O2 MolecularWeight: 444.60834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=CC=C(C=C2)C(=O)NN=C(C)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=CC=C(C=C2)C(=O)N/N=C(\C)/CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H36N2O2/c1-19-5-4-6-20(2)27(19)33-18-22-7-9-26(10-8-22)28(32)31-30-21(3)14-29-15-23-11-24(16-29)13-25(12-23)17-29/h4-10,23-25H,11-18H2,1-3H3,(H,31,32)/b30-21+