2-[4-(4,9-diethoxy-1,3-dihydrobenzo[f]isoindol-2-yl)phenyl]butanoate

Systemtic Name: 2-[4-(4,9-diethoxy-1,3-dihydrobenzo[f]isoindol-2-yl)phenyl]butanoate Openeye Name: 2-[4-(4,9-diethoxy-1,3-dihydrobenzo[f]isoindol-2-yl)phenyl]butanoate CAS Name: 2-[4-(4,9-diethoxy-1,3-dihydrobenzo[f]isoindol-2-yl)phenyl]butanoate IUPAC Name: 2-[4-(4,9-diethoxy-1,3-dihydrobenzo[f]isoindol-2-yl)phenyl]butanoate Traditional Name: 2-[4-(4,9-diethoxy-1,3-dihydrobenz[f]isoindol-2-yl)phenyl]butyrate Formula: C26H28NO4- MolecularWeight: 418.50482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)N2CC3=C(C4=CC=CC=C4C(=C3C2)OCC)OCC)C(=O)[O-]

Isomeric SMILES

CCC(C1=CC=C(C=C1)N2CC3=C(C4=CC=CC=C4C(=C3C2)OCC)OCC)C(=O)[O-]

InChI

InChI=1S/C26H29NO4/c1-4-19(26(28)29)17-11-13-18(14-12-17)27-15-22-23(16-27)25(31-6-3)21-10-8-7-9-20(21)24(22)30-5-2/h7-14,19H,4-6,15-16H2,1-3H3,(H,28,29)/p-1