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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CC2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C#N)OC1

Isomeric SMILES

CCOC(=O)CC1CC2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C#N)OC1

InChI

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