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

Systemtic Name: 3-azanylidene-6-(dimethylamino)-2-[2-(4-methoxy-3-morpholin-4-yl-5-propan-2-yl-phenyl)-2-oxidanylidene-ethyl]-1H-isoindole-5-carboxylic acid Openeye Name: 6-(dimethylamino)-3-imino-2-[2-(3-isopropyl-4-methoxy-5-morpholino-phenyl)-2-oxo-ethyl]isoindoline-5-carboxylic acid CAS Name: 6-(dimethylamino)-3-imino-2-[2-[4-methoxy-3-(4-morpholinyl)-5-propan-2-ylphenyl]-2-oxoethyl]-1H-isoindole-5-carboxylic acid IUPAC Name: 6-(dimethylamino)-3-imino-2-[2-(4-methoxy-3-morpholin-4-yl-5-propan-2-ylphenyl)-2-oxoethyl]-1H-isoindole-5-carboxylic acid Traditional Name: 6-(dimethylamino)-3-imino-2-[2-(3-isopropyl-4-methoxy-5-morpholino-phenyl)-2-keto-ethyl]isoindoline-5-carboxylic acid Formula: C27H34N4O5 MolecularWeight: 494.58266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC(=C1)C(=O)CN2CC3=CC(=C(C=C3C2=N)C(=O)O)N(C)C)N4CCOCC4)OC

Isomeric SMILES

CC(C)C1=C(C(=CC(=C1)C(=O)CN2CC3=CC(=C(C=C3C2=N)C(=O)O)N(C)C)N4CCOCC4)OC

InChI

InChI=1S/C27H34N4O5/c1-16(2)19-10-17(11-23(25(19)35-5)30-6-8-36-9-7-30)24(32)15-31-14-18-12-22(29(3)4)21(27(33)34)13-20(18)26(31)28/h10-13,16,28H,6-9,14-15H2,1-5H3,(H,33,34)