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

Systemtic Name: 2-[3-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)indol-1-yl]ethanoic acid Openeye Name: 2-[3-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)indol-1-yl]acetic acid 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 IUPAC Name: 2-[3-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)indol-1-yl]acetic acid 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 Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CN(C4=CC=CC=C43)CC(=O)O)C(=O)C1)C

InChI

InChI=1S/C22H21N3O4/c1-22(2)7-16(26)20-17(8-22)29-21(24)13(9-23)19(20)14-10-25(11-18(27)28)15-6-4-3-5-12(14)15/h3-6,10,19H,7-8,11,24H2,1-2H3,(H,27,28)