3-azanylidene-6-ethoxy-2-[2-(7-oxidanyl-2,3-dihydro-1H-inden-4-yl)-2-oxidanylidene-ethyl]-1H-isoindole-5-carboxylic acid

Systemtic Name: 3-azanylidene-6-ethoxy-2-[2-(7-oxidanyl-2,3-dihydro-1H-inden-4-yl)-2-oxidanylidene-ethyl]-1H-isoindole-5-carboxylic acid Openeye Name: 6-ethoxy-2-[2-(7-hydroxyindan-4-yl)-2-oxo-ethyl]-3-imino-isoindoline-5-carboxylic acid CAS Name: 6-ethoxy-2-[2-(7-hydroxy-2,3-dihydro-1H-inden-4-yl)-2-oxoethyl]-3-imino-1H-isoindole-5-carboxylic acid IUPAC Name: 6-ethoxy-2-[2-(7-hydroxy-2,3-dihydro-1H-inden-4-yl)-2-oxoethyl]-3-imino-1H-isoindole-5-carboxylic acid Traditional Name: 6-ethoxy-2-[2-(7-hydroxyindan-4-yl)-2-keto-ethyl]-3-imino-isoindoline-5-carboxylic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=C4CCCC4=C(C=C3)O)C(=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=C4CCCC4=C(C=C3)O)C(=O)O

InChI

InChI=1S/C22H22N2O5/c1-2-29-20-8-12-10-24(21(23)16(12)9-17(20)22(27)28)11-19(26)15-6-7-18(25)14-5-3-4-13(14)15/h6-9,23,25H,2-5,10-11H2,1H3,(H,27,28)