2-morpholin-4-ylethyl 4-pyren-1-ylbutanoate

Systemtic Name: 2-morpholin-4-ylethyl 4-pyren-1-ylbutanoate Openeye Name: 2-morpholinoethyl 4-pyren-1-ylbutanoate CAS Name: 4-(1-pyrenyl)butanoic acid 2-(4-morpholinyl)ethyl ester IUPAC Name: 2-morpholin-4-ylethyl 4-pyren-1-ylbutanoate Traditional Name: 4-pyren-1-ylbutyric acid 2-morpholinoethyl ester Formula: C26H27NO3 MolecularWeight: 401.49748

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCOC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C1COCCN1CCOC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C26H27NO3/c28-24(30-18-15-27-13-16-29-17-14-27)6-2-3-19-7-8-22-10-9-20-4-1-5-21-11-12-23(19)26(22)25(20)21/h1,4-5,7-12H,2-3,6,13-18H2