4-(3-dodecoxy-5-oxidanylidene-2H-pyrrol-1-yl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-(3-dodecoxy-5-oxidanylidene-2H-pyrrol-1-yl)-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-(3-dodecoxy-5-oxo-2H-pyrrol-1-yl)-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-(3-dodecoxy-5-oxo-2H-pyrrol-1-yl)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-(3-dodecoxy-5-oxo-2H-pyrrol-1-yl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-4-(2-keto-4-lauryloxy-3-pyrrolin-1-yl)-2,2-dimethyl-chroman-6-carbonitrile Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=O)N(C1)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=O)N(C1)C2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O

InChI

InChI=1S/C28H40N2O4/c1-4-5-6-7-8-9-10-11-12-13-16-33-22-18-25(31)30(20-22)26-23-17-21(19-29)14-15-24(23)34-28(2,3)27(26)32/h14-15,17-18,26-27,32H,4-13,16,20H2,1-3H3