ethyl 2-azanyl-6-(4-tert-butylphenyl)-4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-4H-chromene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-6-(4-tert-butylphenyl)-4-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-4H-chromene-3-carboxylate Openeye Name: ethyl 2-amino-6-(4-tert-butylphenyl)-4-(1-cyano-2-ethoxy-2-oxo-ethyl)-4H-chromene-3-carboxylate CAS Name: 2-amino-6-(4-tert-butylphenyl)-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-6-(4-tert-butylphenyl)-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate Traditional Name: 2-amino-6-(4-tert-butylphenyl)-4-(1-cyano-2-ethoxy-2-keto-ethyl)-4H-chromene-3-carboxylic acid ethyl ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C(C#N)C(=O)OCC)C=C(C=C2)C3=CC=C(C=C3)C(C)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C(C#N)C(=O)OCC)C=C(C=C2)C3=CC=C(C=C3)C(C)(C)C)N

InChI

InChI=1S/C27H30N2O5/c1-6-32-25(30)20(15-28)22-19-14-17(16-8-11-18(12-9-16)27(3,4)5)10-13-21(19)34-24(29)23(22)26(31)33-7-2/h8-14,20,22H,6-7,29H2,1-5H3