methyl 4-[2-[4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-2-ethoxy-phenoxy]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-2-ethoxy-phenoxy]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-ethoxy-phenoxy]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-2-ethoxyphenoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-ethoxyphenoxy]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-2-ethoxy-phenoxy]acetyl]amino]benzoic acid methyl ester Formula: C30H31N3O7 MolecularWeight: 545.58304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OCC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OCC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C30H31N3O7/c1-5-38-23-12-18(26-20(15-31)28(32)40-24-14-30(2,3)13-21(34)27(24)26)8-11-22(23)39-16-25(35)33-19-9-6-17(7-10-19)29(36)37-4/h6-12,26H,5,13-14,16,32H2,1-4H3,(H,33,35)