ethyl 3-(2-methylpropanoylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylate

Systemtic Name: ethyl 3-(2-methylpropanoylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylate Openeye Name: ethyl 3-(2-methylpropanoylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylate CAS Name: 3-[(2-methyl-1-oxopropyl)amino]-1-phenyl-1H-benzo[f][1]benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methylpropanoylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylate Traditional Name: 3-(isobutyrylamino)-1-phenyl-1H-benzo[f]chromene-2-carboxylic acid ethyl ester Formula: C26H25NO4 MolecularWeight: 415.481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3)C4=CC=CC=C4C=C2)NC(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3)C4=CC=CC=C4C=C2)NC(=O)C(C)C

InChI

InChI=1S/C26H25NO4/c1-4-30-26(29)23-21(18-11-6-5-7-12-18)22-19-13-9-8-10-17(19)14-15-20(22)31-25(23)27-24(28)16(2)3/h5-16,21H,4H2,1-3H3,(H,27,28)