2,2-dimethyl-3-oxidanyl-4-[[(Z)-3-(3-oxidanylideneprop-2-enoxy)-2-phenylmethoxy-prop-2-enyl]amino]-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-dimethyl-3-oxidanyl-4-[[(Z)-3-(3-oxidanylideneprop-2-enoxy)-2-phenylmethoxy-prop-2-enyl]amino]-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[[(Z)-2-benzyloxy-3-(3-oxoallyloxy)allyl]amino]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-dimethyl-4-[[(Z)-3-(3-oxoprop-2-enoxy)-2-phenylmethoxyprop-2-enyl]amino]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-dimethyl-4-[[(Z)-3-(3-oxoprop-2-enoxy)-2-phenylmethoxyprop-2-enyl]amino]-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-[[(Z)-2-benzoxy-3-(3-ketoallyloxy)allyl]amino]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NCC(=COCC=C=O)OCC3=CC=CC=C3)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC/C(=C/OCC=C=O)/OCC3=CC=CC=C3)O)C

InChI

InChI=1S/C25H26N2O5/c1-25(2)24(29)23(21-13-19(14-26)9-10-22(21)32-25)27-15-20(17-30-12-6-11-28)31-16-18-7-4-3-5-8-18/h3-10,13,17,23-24,27,29H,12,15-16H2,1-2H3/b20-17-