ethyl 2-[3-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)indol-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)indol-1-yl]ethanoate Openeye Name: ethyl 2-[3-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)indol-1-yl]acetate CAS Name: 2-[3-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-1-indolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)indol-1-yl]acetate Traditional Name: 2-[3-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)indol-1-yl]acetic acid ethyl ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(C2=CC=CC=C21)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N

Isomeric SMILES

CCOC(=O)CN1C=C(C2=CC=CC=C21)C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N

InChI

InChI=1S/C24H25N3O4/c1-4-30-20(29)13-27-12-16(14-7-5-6-8-17(14)27)21-15(11-25)23(26)31-19-10-24(2,3)9-18(28)22(19)21/h5-8,12,21H,4,9-10,13,26H2,1-3H3