2-[5-ethoxy-6-methoxy-2-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)carbonyl]-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-ethoxy-6-methoxy-2-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)carbonyl]-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-ethoxy-6-methoxy-2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[5-ethoxy-6-methoxy-2-[oxo-(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-ethoxy-6-methoxy-2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[5-ethoxy-2-(3-keto-4H-1,4-benzoxazine-6-carbonyl)-6-methoxy-1H-indol-3-yl]acetic acid Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=C(N2)C(=O)C3=CC4=C(C=C3)OCC(=O)N4)CC(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=C(N2)C(=O)C3=CC4=C(C=C3)OCC(=O)N4)CC(=O)O)OC

InChI

InChI=1S/C22H20N2O7/c1-3-30-18-7-12-13(8-20(26)27)21(24-14(12)9-17(18)29-2)22(28)11-4-5-16-15(6-11)23-19(25)10-31-16/h4-7,9,24H,3,8,10H2,1-2H3,(H,23,25)(H,26,27)