phenanthridin-6-ylmethyl 4-(3-ethoxy-4-oxidanyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: phenanthridin-6-ylmethyl 4-(3-ethoxy-4-oxidanyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: phenanthridin-6-ylmethyl 4-(3-ethoxy-4-hydroxy-phenyl)-4-oxo-butanoate CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-4-keto-butyric acid phenanthridin-6-ylmethyl ester Formula: C26H23NO5 MolecularWeight: 429.46452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42)O

InChI

InChI=1S/C26H23NO5/c1-2-31-25-15-17(11-12-24(25)29)23(28)13-14-26(30)32-16-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)27-22/h3-12,15,29H,2,13-14,16H2,1H3