2-phenoxyethyl 2-(4-ethoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: 2-phenoxyethyl 2-(4-ethoxyphenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: 2-phenoxyethyl 2-(4-ethoxyphenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(4-ethoxyphenyl)-1-oxo-4-isoquinolinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-(4-ethoxyphenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-p-phenetyl-isoquinoline-4-carboxylic acid 2-phenoxyethyl ester Formula: C26H23NO5 MolecularWeight: 429.46452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OCCOC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)OCCOC4=CC=CC=C4

InChI

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