tert-butyl 4-[[5-[(Z)-2-cyano-3-phenylazanyl-prop-2-enyl]-8-methoxy-2H-chromen-7-yl]oxy]butanoate

Systemtic Name: tert-butyl 4-[[5-[(Z)-2-cyano-3-phenylazanyl-prop-2-enyl]-8-methoxy-2H-chromen-7-yl]oxy]butanoate Openeye Name: tert-butyl 4-[[5-[(Z)-3-anilino-2-cyano-allyl]-8-methoxy-2H-chromen-7-yl]oxy]butanoate CAS Name: 4-[[5-[(Z)-3-anilino-2-cyanoprop-2-enyl]-8-methoxy-2H-1-benzopyran-7-yl]oxy]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-[(Z)-3-anilino-2-cyanoprop-2-enyl]-8-methoxy-2H-chromen-7-yl]oxy]butanoate Traditional Name: 4-[[5-[(Z)-3-anilino-2-cyano-allyl]-8-methoxy-2H-chromen-7-yl]oxy]butyric acid tert-butyl ester Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCOC1=C(C2=C(C=CCO2)C(=C1)CC(=CNC3=CC=CC=C3)C#N)OC

Isomeric SMILES

CC(C)(C)OC(=O)CCCOC1=C(C2=C(C=CCO2)C(=C1)C/C(=C/NC3=CC=CC=C3)/C#N)OC

InChI

InChI=1S/C28H32N2O5/c1-28(2,3)35-25(31)13-9-14-33-24-17-21(23-12-8-15-34-26(23)27(24)32-4)16-20(18-29)19-30-22-10-6-5-7-11-22/h5-8,10-12,17,19,30H,9,13-16H2,1-4H3/b20-19-