2-[3-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamoylamino]phenyl]ethanoic acid

Systemtic Name: 2-[3-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamoylamino]phenyl]ethanoic acid Openeye Name: 2-[3-[(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)carbamoylamino]phenyl]acetic acid CAS Name: 2-[3-[[[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)amino]-oxomethyl]amino]phenyl]acetic acid IUPAC Name: 2-[3-[(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamoylamino]phenyl]acetic acid Traditional Name: 2-[3-[(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)carbamoylamino]phenyl]acetic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)NC3=CC=CC(=C3)CC(=O)O)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)NC3=CC=CC(=C3)CC(=O)O)O)C

InChI

InChI=1S/C21H21N3O5/c1-21(2)19(27)18(15-9-13(11-22)6-7-16(15)29-21)24-20(28)23-14-5-3-4-12(8-14)10-17(25)26/h3-9,18-19,27H,10H2,1-2H3,(H,25,26)(H2,23,24,28)