3-azanylidene-6-ethoxy-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-ethoxy-2-[2-(4-methoxy-3-morpholin-4-yl-5-propan-2-yl-phenyl)-2-oxidanylidene-ethyl]-1H-isoindole-5-carboxylic acid Openeye Name: 6-ethoxy-3-imino-2-[2-(3-isopropyl-4-methoxy-5-morpholino-phenyl)-2-oxo-ethyl]isoindoline-5-carboxylic acid CAS Name: 6-ethoxy-3-imino-2-[2-[4-methoxy-3-(4-morpholinyl)-5-propan-2-ylphenyl]-2-oxoethyl]-1H-isoindole-5-carboxylic acid IUPAC Name: 6-ethoxy-3-imino-2-[2-(4-methoxy-3-morpholin-4-yl-5-propan-2-ylphenyl)-2-oxoethyl]-1H-isoindole-5-carboxylic acid Traditional Name: 6-ethoxy-3-imino-2-[2-(3-isopropyl-4-methoxy-5-morpholino-phenyl)-2-keto-ethyl]isoindoline-5-carboxylic acid Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C(=C3)N4CCOCC4)OC)C(C)C)C(=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C(=C3)N4CCOCC4)OC)C(C)C)C(=O)O

InChI

InChI=1S/C27H33N3O6/c1-5-36-24-12-18-14-30(26(28)20(18)13-21(24)27(32)33)15-23(31)17-10-19(16(2)3)25(34-4)22(11-17)29-6-8-35-9-7-29/h10-13,16,28H,5-9,14-15H2,1-4H3,(H,32,33)