2-butyl-4-[[(Z)-2-ethoxy-3-(3-oxidanylideneprop-2-enoxy)prop-2-enyl]amino]-3-oxidanyl-3,4-dihydro-2H-chromene-6-carbonitrile

Systemtic Name: 2-butyl-4-[[(Z)-2-ethoxy-3-(3-oxidanylideneprop-2-enoxy)prop-2-enyl]amino]-3-oxidanyl-3,4-dihydro-2H-chromene-6-carbonitrile Openeye Name: 2-butyl-4-[[(Z)-2-ethoxy-3-(3-oxoallyloxy)allyl]amino]-3-hydroxy-chromane-6-carbonitrile CAS Name: 2-butyl-4-[[(Z)-2-ethoxy-3-(3-oxoprop-2-enoxy)prop-2-enyl]amino]-3-hydroxy-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 2-butyl-4-[[(Z)-2-ethoxy-3-(3-oxoprop-2-enoxy)prop-2-enyl]amino]-3-hydroxy-3,4-dihydro-2H-chromene-6-carbonitrile Traditional Name: 2-butyl-4-[[(Z)-2-ethoxy-3-(3-ketoallyloxy)allyl]amino]-3-hydroxy-chroman-6-carbonitrile Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C(C2=C(O1)C=CC(=C2)C#N)NCC(=COCC=C=O)OCC)O

Isomeric SMILES

CCCCC1C(C(C2=C(O1)C=CC(=C2)C#N)NC/C(=C/OCC=C=O)/OCC)O

InChI

InChI=1S/C22H28N2O5/c1-3-5-7-20-22(26)21(18-12-16(13-23)8-9-19(18)29-20)24-14-17(28-4-2)15-27-11-6-10-25/h6,8-9,12,15,20-22,24,26H,3-5,7,11,14H2,1-2H3/b17-15-