3-azanylidene-6-ethoxy-2-[2-(4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-oxidanylidene-ethyl]-1H-isoindole-5-carboxylic acid

Systemtic Name: 3-azanylidene-6-ethoxy-2-[2-(4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-oxidanylidene-ethyl]-1H-isoindole-5-carboxylic acid Openeye Name: 6-ethoxy-3-imino-2-[2-(8-isopropyl-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-oxo-ethyl]isoindoline-5-carboxylic acid CAS Name: 6-ethoxy-3-imino-2-[2-(4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-oxoethyl]-1H-isoindole-5-carboxylic acid IUPAC Name: 6-ethoxy-3-imino-2-[2-(4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-oxoethyl]-1H-isoindole-5-carboxylic acid Traditional Name: 6-ethoxy-3-imino-2-[2-(8-isopropyl-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-keto-ethyl]isoindoline-5-carboxylic acid Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C4C(=C3)N(CCO4)C)C(C)C)C(=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C4C(=C3)N(CCO4)C)C(C)C)C(=O)O

InChI

InChI=1S/C25H29N3O5/c1-5-32-22-10-16-12-28(24(26)18(16)11-19(22)25(30)31)13-21(29)15-8-17(14(2)3)23-20(9-15)27(4)6-7-33-23/h8-11,14,26H,5-7,12-13H2,1-4H3,(H,30,31)