N-(1-adamantylmethyl)-2-(4-ethoxyphenyl)-N-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-2-(4-ethoxyphenyl)-N-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-(1-adamantylmethyl)-2-(4-ethoxyphenyl)-N-methyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(1-adamantylmethyl)-2-(4-ethoxyphenyl)-N-methyl-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-2-(4-ethoxyphenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-(1-adamantylmethyl)-1,3-diketo-N-methyl-2-p-phenetyl-isoindoline-5-carboxamide Formula: C29H32N2O4 MolecularWeight: 472.57538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N(C)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N(C)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H32N2O4/c1-3-35-23-7-5-22(6-8-23)31-27(33)24-9-4-21(13-25(24)28(31)34)26(32)30(2)17-29-14-18-10-19(15-29)12-20(11-18)16-29/h4-9,13,18-20H,3,10-12,14-17H2,1-2H3