3-azanyl-1-[2-(3-cyclopentyl-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid

Systemtic Name: 3-azanyl-1-[2-(3-cyclopentyl-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid Openeye Name: 3-amino-1-[2-(3-cyclopentyl-4-hydroxy-phenyl)-2-oxo-ethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid CAS Name: 3-amino-1-[2-(3-cyclopentyl-4-hydroxyphenyl)-2-oxoethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid IUPAC Name: 3-amino-1-[2-(3-cyclopentyl-4-hydroxyphenyl)-2-oxoethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid Traditional Name: 3-amino-1-[2-(3-cyclopentyl-4-hydroxy-phenyl)-2-keto-ethyl]-6-ethoxy-1H-isoindole-5-carboxylic acid Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(N=C2N)CC(=O)C3=CC(=C(C=C3)O)C4CCCC4)C(=O)O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(N=C2N)CC(=O)C3=CC(=C(C=C3)O)C4CCCC4)C(=O)O

InChI

InChI=1S/C24H26N2O5/c1-2-31-22-11-16-17(10-18(22)24(29)30)23(25)26-19(16)12-21(28)14-7-8-20(27)15(9-14)13-5-3-4-6-13/h7-11,13,19,27H,2-6,12H2,1H3,(H2,25,26)(H,29,30)