2-[6-[(4-cyanophenyl)carbamoyl]-2-ethyl-3,4-dihydro-2H-chromen-3-yl]ethanoic acid

Systemtic Name: 2-[6-[(4-cyanophenyl)carbamoyl]-2-ethyl-3,4-dihydro-2H-chromen-3-yl]ethanoic acid Openeye Name: 2-[6-[(4-cyanophenyl)carbamoyl]-2-ethyl-chroman-3-yl]acetic acid CAS Name: 2-[6-[(4-cyanoanilino)-oxomethyl]-2-ethyl-3,4-dihydro-2H-1-benzopyran-3-yl]acetic acid IUPAC Name: 2-[6-[(4-cyanophenyl)carbamoyl]-2-ethyl-3,4-dihydro-2H-chromen-3-yl]acetic acid Traditional Name: 2-[6-[(4-cyanophenyl)carbamoyl]-2-ethyl-chroman-3-yl]acetic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CC2=C(O1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C#N)CC(=O)O

Isomeric SMILES

CCC1C(CC2=C(O1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C#N)CC(=O)O

InChI

InChI=1S/C21H20N2O4/c1-2-18-16(11-20(24)25)10-15-9-14(5-8-19(15)27-18)21(26)23-17-6-3-13(12-22)4-7-17/h3-9,16,18H,2,10-11H2,1H3,(H,23,26)(H,24,25)