(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-benzamido-3-phenyl-propanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-benzamido-3-phenyl-propanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-benzamido-3-phenyl-propanoate CAS Name: 3-benzamido-3-phenylpropanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-benzamido-3-phenylpropanoate Traditional Name: 3-benzamido-3-phenyl-propionic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C28H25NO5 MolecularWeight: 455.5018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C

InChI

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