3-azanylidene-2-[2-[3-(dimethylamino)-4-methoxy-5-propan-2-yl-phenyl]-2-oxidanylidene-ethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid

Systemtic Name: 3-azanylidene-2-[2-[3-(dimethylamino)-4-methoxy-5-propan-2-yl-phenyl]-2-oxidanylidene-ethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid Openeye Name: 2-[2-[3-(dimethylamino)-5-isopropyl-4-methoxy-phenyl]-2-oxo-ethyl]-6-ethoxy-3-imino-isoindoline-5-carboxylic acid CAS Name: 2-[2-[3-(dimethylamino)-4-methoxy-5-propan-2-ylphenyl]-2-oxoethyl]-6-ethoxy-3-imino-1H-isoindole-5-carboxylic acid IUPAC Name: 2-[2-[3-(dimethylamino)-4-methoxy-5-propan-2-ylphenyl]-2-oxoethyl]-6-ethoxy-3-imino-1H-isoindole-5-carboxylic acid Traditional Name: 2-[2-[3-(dimethylamino)-5-isopropyl-4-methoxy-phenyl]-2-keto-ethyl]-6-ethoxy-3-imino-isoindoline-5-carboxylic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C(=C3)N(C)C)OC)C(C)C)C(=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C(=C3)N(C)C)OC)C(C)C)C(=O)O

InChI

InChI=1S/C25H31N3O5/c1-7-33-22-10-16-12-28(24(26)18(16)11-19(22)25(30)31)13-21(29)15-8-17(14(2)3)23(32-6)20(9-15)27(4)5/h8-11,14,26H,7,12-13H2,1-6H3,(H,30,31)