(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-benzamido-3-phenyl-propanoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-benzamido-3-phenyl-propanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 2-benzamido-3-phenyl-propanoate CAS Name: 2-benzamido-3-phenylpropanoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 2-benzamido-3-phenylpropanoate Traditional Name: 2-benzamido-3-phenyl-propionic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C28H25NO5 MolecularWeight: 455.5018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H25NO5/c1-2-19-13-14-23-22(17-26(30)34-25(23)16-19)18-33-28(32)24(15-20-9-5-3-6-10-20)29-27(31)21-11-7-4-8-12-21/h3-14,16-17,24H,2,15,18H2,1H3,(H,29,31)