3-(3-ethoxy-4-methoxy-phenyl)-3-[4-(2-methylpropylamino)-1,3-bis(oxidanylidene)isoindol-2-yl]propanenitrile

Systemtic Name: 3-(3-ethoxy-4-methoxy-phenyl)-3-[4-(2-methylpropylamino)-1,3-bis(oxidanylidene)isoindol-2-yl]propanenitrile Openeye Name: 3-(3-ethoxy-4-methoxy-phenyl)-3-[4-(isobutylamino)-1,3-dioxo-isoindolin-2-yl]propanenitrile CAS Name: 3-(3-ethoxy-4-methoxyphenyl)-3-[4-(2-methylpropylamino)-1,3-dioxo-2-isoindolyl]propanenitrile IUPAC Name: 3-(3-ethoxy-4-methoxyphenyl)-3-[4-(2-methylpropylamino)-1,3-dioxoisoindol-2-yl]propanenitrile Traditional Name: 3-(3-ethoxy-4-methoxy-phenyl)-3-[4-(isobutylamino)-1,3-diketo-isoindolin-2-yl]propionitrile Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC#N)N2C(=O)C3=C(C2=O)C(=CC=C3)NCC(C)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC#N)N2C(=O)C3=C(C2=O)C(=CC=C3)NCC(C)C)OC

InChI

InChI=1S/C24H27N3O4/c1-5-31-21-13-16(9-10-20(21)30-4)19(11-12-25)27-23(28)17-7-6-8-18(22(17)24(27)29)26-14-15(2)3/h6-10,13,15,19,26H,5,11,14H2,1-4H3